Remote-controlled delivery of CO via photoactive CO-releasing materials on a fiber optical device.
Gläser, Steve; Mede, Ralf; Görls, Helmar; Seupel, Susanne; Bohlender, Carmen; Wyrwa, Ralf; Schirmer, Sina; Dochow, Sebastian; Reddy, Gandra Upendar; Popp, Jürgen; Westerhausen, Matthias; Schiller, Alexander; Dalton transactions (Cambridge, England : 2003) 45 (2016) 13222–13233; doi:10.1039/c6dt02011a

data_7039887
_publ_section_title
;
 Remote-controlled delivery of CO via photoactive CO-releasing materials
 on a fiber optical device.
;
_journal_issue                   33
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13222
_journal_page_last               13233
_journal_paper_doi               10.1039/c6dt02011a
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C28 H36 Mn4 O12 S4'
_chemical_formula_sum            'C28 H36 Mn4 O12 S4'
_chemical_formula_weight         912.57
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-04-12 deposited with the CCDC.
2016-06-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 91.582(2)
_cell_angle_gamma                90
_cell_formula_units_Z            24
_cell_length_a                   19.1734(9)
_cell_length_b                   18.1618(9)
_cell_length_c                   65.709(3)
_cell_measurement_reflns_used    131404
_cell_measurement_temperature    413(2)
_cell_measurement_theta_max      27.92
_cell_measurement_theta_min      1.65
_cell_volume                     22872.7(19)
_computing_cell_refinement       DENZO
_computing_data_collection       COLLECT
_computing_data_reduction        DENZO
_computing_molecular_graphics    SHELXTL/PC
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      413(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'phi- + 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  0.0711
_diffrn_reflns_av_sigmaI/netI    0.0992
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       86
_diffrn_reflns_limit_l_min       -73
_diffrn_reflns_number            131404
_diffrn_reflns_theta_full        27.92
_diffrn_reflns_theta_max         27.92
_diffrn_reflns_theta_min         1.65
_exptl_absorpt_coefficient_mu    1.568
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6785
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker-AXS, 2002'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.590
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             11136
_exptl_crystal_size_max          0.088
_exptl_crystal_size_mid          0.065
_exptl_crystal_size_min          0.056
_refine_diff_density_max         1.102
_refine_diff_density_min         -1.816
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2594
_refine_ls_number_reflns         52908
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.1154
_refine_ls_R_factor_gt           0.0598
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0327P)^2^+26.9588P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1092
_refine_ls_wR_factor_ref         0.1276
_reflns_number_gt                32730
_reflns_number_total             52908
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt02011a2.cif
_cod_data_source_block           FO5604
_cod_depositor_comments
'Adding full bibliography for 7039886--7039887.cif.'
_cod_original_cell_volume        22873(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7039887