A photoCORM nanocarrier for CO release using NIR light.
Pierri, Agustin E.; Huang, Po-Ju; Garcia, John V.; Stanfill, James G.; Chui, Megan; Wu, Guang; Zheng, Nanfeng; Ford, Peter C.; Chemical communications (Cambridge, England) 51 (2015) 2072–2075; doi:10.1039/c4cc06766e

data_7116184
_publ_section_title
;
 A photoCORM nanocarrier for CO release using NIR light.
;
_journal_issue                   11
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2072
_journal_page_last               2075
_journal_paper_doi               10.1039/c4cc06766e
_journal_volume                  51
_journal_year                    2015
_chemical_formula_moiety
'2(C48 H38 Mn N2 O2 P2), C14 H6 N, 2(C F3 O3 S)'
_chemical_formula_sum            'C111 H110 F6 Mn2 N5 O10 P4 S2'
_chemical_formula_weight         2085.91
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2014-12-08 deposited with the CCDC.
2014-12-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 105.155(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.451(2)
_cell_length_b                   27.816(4)
_cell_length_c                   14.753(2)
_cell_measurement_temperature    100(2)
_cell_volume                     4931.8(13)
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker Kappa Apex II'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0433
_diffrn_reflns_av_unetI/netI     0.0483
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            36069
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.493
_diffrn_reflns_theta_min         1.464
_exptl_absorpt_coefficient_mu    0.439
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6376
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.405
_exptl_crystal_description       needle
_exptl_crystal_F_000             2174
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Hexane'
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.050
_refine_diff_density_max         1.909
_refine_diff_density_min         -0.802
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.164
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     644
_refine_ls_number_reflns         12413
_refine_ls_number_restraints     27
_refine_ls_restrained_S_all      1.191
_refine_ls_R_factor_all          0.0817
_refine_ls_R_factor_gt           0.0555
_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^)+(0.0300P)^2^+8.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1165
_refine_ls_wR_factor_ref         0.1254
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9192
_reflns_number_total             12413
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c4cc06766e2.cif
_cod_data_source_block           B11202014_1_0m
_cod_depositor_comments          'Adding full bibliography for 7116184.cif.'
_cod_original_cell_volume        4932.0(13)
_cod_database_code               7116184
_shelx_estimated_absorpt_t_min   0.898
_shelx_estimated_absorpt_t_max   0.978
_shelxl_version_number           2014-3
_shelx_res_checksum              55660