Designing Photolabile Ruthenium Polypyridyl Crosslinkers for Hydrogel Formation and Multiplexed, Visible-light Degradation.
Rapp, Teresa L.; Wang, Yanfei; Delessio, Maegan A.; Gau, Michael R.; Dmochowski, Ivan J.; RSC advances 9 (2019) 4942–4947; doi:10.1039/C8RA09764J

data_7232336
_publ_section_title
;
 Designing Photolabile Ruthenium Polypyridyl Crosslinkers for Hydrogel
 Formation and Multiplexed, Visible-light Degradation.
;
_journal_issue                   9
_journal_name_full               'RSC advances'
_journal_page_first              4942
_journal_page_last               4947
_journal_paper_doi               10.1039/C8RA09764J
_journal_volume                  9
_journal_year                    2019
_chemical_formula_moiety         'C40 H34 N6 Ru, 2(F6 P), C4 H10 O'
_chemical_formula_sum            'C44 H44 F12 N6 O P2 Ru'
_chemical_formula_weight         1063.86
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2018-07-13
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2018-10-25 deposited with the CCDC.
2019-01-28 downloaded from the CCDC.
;
_cell_angle_alpha                67.166(2)
_cell_angle_beta                 83.813(2)
_cell_angle_gamma                67.008(2)
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_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
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_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'CMOS area detector'
_diffrn_measurement_device_type  'Bruker D8QUEST'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0453
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_diffrn_reflns_limit_h_min       -14
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_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            66656
_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_source                   'sealed tube'
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour_modifier   dark
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_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         10417
_refine_ls_number_restraints     168
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_refine_ls_R_factor_all          0.0521
_refine_ls_R_factor_gt           0.0426
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0281P)^2^+4.8088P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0901
_refine_ls_wR_factor_ref         0.0952
_reflns_number_gt                9062
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8ra09764j2.cif
_cod_data_source_block           9725
_cod_depositor_comments
'Adding full bibliography for 7232336--7232338.cif.'
_cod_original_cell_volume        2259.57(17)
_cod_database_code               7232336
_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_max   0.951
_shelx_estimated_absorpt_t_min   0.927