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_7038006
_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 O14 Ru2'
_chemical_formula_weight         794.64
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -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                96.569(4)
_cell_angle_beta                 97.327(4)
_cell_angle_gamma                104.426(4)
_cell_formula_units_Z            2
_cell_length_a                   9.9506(4)
_cell_length_b                   12.5452(5)
_cell_length_c                   13.6980(7)
_cell_measurement_reflns_used    5655
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      72.38
_cell_measurement_theta_min      4.54
_cell_volume                     1623.39(13)
_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           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0270
_diffrn_reflns_av_sigmaI/netI    0.0341
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            12836
_diffrn_reflns_theta_full        67.49
_diffrn_reflns_theta_max         67.49
_diffrn_reflns_theta_min         3.29
_exptl_absorpt_coefficient_mu    8.126
_exptl_absorpt_correction_T_max  0.4685
_exptl_absorpt_correction_T_min  0.3958
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.626
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             796
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.500
_refine_diff_density_min         -0.522
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     401
_refine_ls_number_reflns         5825
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0515
_refine_ls_R_factor_gt           0.0407
_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^)+(0.0627P)^2^+1.0145P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1019
_refine_ls_wR_factor_ref         0.1115
_reflns_number_gt                4782
_reflns_number_total             5825
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt04479k2.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7038003--7038006.cif.
;
_cod_original_cell_volume        1623.39(12)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7038006