Photo-activated CO-releasing molecules (PhotoCORMs) of robust sawhorse scaffolds [μ(2)-OOCR(1), η(1)-NH2CHR(2)(C[double bond, length as m-dash]O] OCH3, Ru(i)2CO4].
Yang, Shuhong; Chen, Mengjiao; Zhou, Lingling; Zhang, Guofang; Gao, Ziwei; Zhang, Weiqiang; Dalton transactions (Cambridge, England : 2003) 45 (2016) 3727–3733; doi:10.1039/c5dt04479k

data_7038005
_publ_section_title
;
 Photo-activated CO-releasing molecules (PhotoCORMs) of robust sawhorse
 scaffolds [\m(2)-OOCR(1), \h(1)-NH2CHR(2)(C[double bond, length as
 m-dash]O] OCH3, Ru(i)2CO4].
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3727
_journal_page_last               3733
_journal_paper_doi               10.1039/c5dt04479k
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C26 H28 N2 O12 Ru2'
_chemical_formula_weight         762.64
_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
;
2016-01-05 deposited with the CCDC.
2016-01-14 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 125.572(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.6661(3)
_cell_length_b                   15.7555(5)
_cell_length_c                   19.8021(7)
_cell_measurement_reflns_used    4046
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.90
_cell_measurement_theta_min      4.01
_cell_volume                     2960.50(18)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_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  0.0315
_diffrn_reflns_av_sigmaI/netI    0.0438
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            13600
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.32
_exptl_absorpt_coefficient_mu    1.084
_exptl_absorpt_correction_T_max  0.9087
_exptl_absorpt_correction_T_min  0.8719
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.711
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1528
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.849
_refine_diff_density_min         -1.233
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     367
_refine_ls_number_reflns         5810
_refine_ls_number_restraints     43
_refine_ls_restrained_S_all      1.086
_refine_ls_R_factor_all          0.0792
_refine_ls_R_factor_gt           0.0558
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0691P)^2^+9.0237P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1384
_refine_ls_wR_factor_ref         0.1583
_reflns_number_gt                4363
_reflns_number_total             5810
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt04479k2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7038003--7038006.cif.'
_cod_original_cell_volume        2960.50(16)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7038005