Scrutinizing ligand exchange reactions in the formation of the precious group metal-organic framework Ru<sup>II,II</sup>-HKUST-1: the impact of diruthenium tetracarboxylate precursor and modulator choice.
Heinz, Werner R.; Staude, Dominik; Mayer, David; Bunzen, Hana; Fischer, Roland A.; Dalton transactions (Cambridge, England : 2003) 50 (2021) 5226–5235; doi:10.1039/d1dt00118c

data_7707039
_publ_section_title
;
 Scrutinizing ligand exchange reactions in the formation of the precious
 group metal-organic framework Ru<sup>II,II</sup>-HKUST-1: the impact of
 diruthenium tetracarboxylate precursor and modulator choice.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5226
_journal_page_last               5235
_journal_paper_doi               10.1039/d1dt00118c
_journal_volume                  50
_journal_year                    2021
_chemical_compound_source        'see text'
_chemical_formula_moiety         'C38 H40 O14 Ru2'
_chemical_formula_sum            'C12.67 H13.33 O4.67 Ru0.67'
_chemical_formula_weight         308.048
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_update_record
;
2020-11-11 deposited with the CCDC.	2021-03-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 117.401(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.3485(18)
_cell_length_b                   9.9212(7)
_cell_length_c                   23.6907(17)
_cell_measurement_reflns_used    9861
_cell_measurement_temperature    100
_cell_measurement_theta_max      24.6236
_cell_measurement_theta_min      2.6230
_cell_volume                     5080.8(6)
_computing_cell_refinement       'SAINT (Bruker, 2017)'
_computing_data_collection       'APEX III Control Software (Bruker, 2016)'
_computing_data_reduction        'SAINT (Bruker, 2017)'
_computing_molecular_graphics    'PLATON (Spek, 2011)'
_computing_publication_material  'PLATON (Spek, 2011), enCIFer (Allen, 2014)'
_computing_structure_refinement
'SHELXL2014 (Sheldrick, 2014), SHELXLE (Huebschle, 2011)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100
_diffrn_detector                 ' CMOS plate '
_diffrn_detector_area_resol_mean 16
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       ' \k-geometry diffractometer '
_diffrn_measurement_device_type  ' Bruker Photon CMOS '
_diffrn_measurement_method       ' phi- and omega-rotation '
_diffrn_radiation_monochromator  'Helios optic'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'IMS microsource'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0802
_diffrn_reflns_av_unetI/netI     0.0251
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            101927
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        25.24
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         2.26
_exptl_absorpt_coefficient_mu    0.216
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6864
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2016/2, Bruker, 2016'
_exptl_crystal_colour            'clear red'
_exptl_crystal_density_diffrn    0.403
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             1872
_exptl_crystal_size_max          0.365
_exptl_crystal_size_mid          0.175
_exptl_crystal_size_min          0.049
_refine_diff_density_max         1.366
_refine_diff_density_min         -1.107
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.203
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     248
_refine_ls_number_reflns         4634
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.203
_refine_ls_R_factor_all          0.0690
_refine_ls_R_factor_gt           0.0574
_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^)+71.3381P] WHERE P=(FO^2^+2FC^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1190
_refine_ls_wR_factor_ref         0.1258
_reflns_number_gt                4065
_reflns_number_total             4634
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            d1dt00118c2.cif
_cod_data_source_block           mo_staudo1_0m_sq
_cod_depositor_comments
'Adding full bibliography for 7707038--7707041.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7707039
_shelx_res_checksum              37291
_shelx_fab_checksum              70635