Rapid build up of nanooptomechanical transduction in single crystals of a ruthenium-based SO<sub>2</sub> linkage photoisomer.
Cole, Jacqueline M.; Gosztola, David J.; Velazquez-Garcia, Jose de J; Grass Wang, SuYin; Chen, Yu-Sheng; Chemical communications (Cambridge, England) 57 (2021) 1320–1323; doi:10.1039/d0cc06755e

data_7127565
_publ_section_title
;
 Rapid build up of nanooptomechanical transduction in single crystals of a
 ruthenium-based SO<sub>2</sub> linkage photoisomer.
;
_journal_issue                   11
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1320
_journal_page_last               1323
_journal_paper_doi               10.1039/d0cc06755e
_journal_volume                  57
_journal_year                    2021
_chemical_formula_sum            'C24 H44 Cl4 N8 O18 Ru2 S6'
_chemical_formula_weight         1268.97
_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-2018/3
_audit_update_record
;
2020-11-20 deposited with the CCDC.	2020-11-30 downloaded from the CCDC.
;
_cell_angle_alpha                77.427(2)
_cell_angle_beta                 87.258(2)
_cell_angle_gamma                82.259(2)
_cell_formula_units_Z            1
_cell_length_a                   7.8469(8)
_cell_length_b                   11.8085(13)
_cell_length_c                   12.8063(13)
_cell_measurement_reflns_used    9887
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      15.61
_cell_measurement_theta_min      2.41
_cell_volume                     1147.4(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.916
_diffrn_measured_fraction_theta_max 0.916
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  'Si crystal'
_diffrn_radiation_source         'Advanced Photon Source'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.41328
_diffrn_reflns_av_R_equivalents  0.1554
_diffrn_reflns_av_unetI/netI     0.0748
_diffrn_reflns_Laue_measured_fraction_full 0.916
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_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
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_diffrn_reflns_point_group_measured_fraction_full 0.916
_diffrn_reflns_point_group_measured_fraction_max 0.916
_diffrn_reflns_theta_full        14.357
_diffrn_reflns_theta_max         19.554
_diffrn_reflns_theta_min         1.523
_exptl_absorpt_coefficient_mu    1.202
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            grey
_exptl_crystal_density_diffrn    1.836
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             640
_exptl_crystal_size_max          0.050
_exptl_crystal_size_mid          0.025
_exptl_crystal_size_min          0.025
_refine_diff_density_max         1.047
_refine_diff_density_min         -0.912
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
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_refine_ls_number_reflns         9351
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.876
_refine_ls_R_factor_all          0.0728
_refine_ls_R_factor_gt           0.0426
_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^)+(0.0500P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0998
_refine_ls_wR_factor_ref         0.1060
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5746
_reflns_number_total             9351
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0cc06755e3.cif
_cod_data_source_block           h2oclbslight
_cod_depositor_comments
'Adding full bibliography for 7127564--7127565.cif.'
_cod_database_code               7127565
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              66370