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_7707038
_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 O10 Ru2'
_chemical_formula_sum            'C38 H40 O10 Ru2'
_chemical_formula_weight         858.84
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -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                96.337(8)
_cell_angle_beta                 104.603(8)
_cell_angle_gamma                103.407(8)
_cell_formula_units_Z            1
_cell_length_a                   6.6721(13)
_cell_length_b                   11.701(2)
_cell_length_c                   12.113(2)
_cell_measurement_reflns_used    9928
_cell_measurement_temperature    101
_cell_measurement_theta_max      30.0276
_cell_measurement_theta_min      2.2968
_cell_volume                     875.7(3)
_computing_publication_material  'PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL-201n (Sheldrick, 2014)'
_diffrn_ambient_temperature      101
_diffrn_detector                 ' CMOS plate '
_diffrn_detector_area_resol_mean 16
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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         'TXS rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1059
_diffrn_reflns_av_unetI/netI     0.0497
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            34266
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        25.24
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         2.30
_exptl_absorpt_coefficient_mu    0.921
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_correction_T_min  0.6305
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2016/2, Bruker, 2016'
_exptl_crystal_colour            'clear blue'
_exptl_crystal_density_diffrn    1.629
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             436
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.133
_exptl_crystal_size_min          0.045
_refine_diff_density_max         1.642
_refine_diff_density_min         -0.757
_refine_diff_density_rms         0.149
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     230
_refine_ls_number_reflns         3195
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0487
_refine_ls_R_factor_gt           0.0425
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'W=1/[\S^2^(FO^2^)+(0.0733P)^2^+2.1991P] WHERE P=(FO^2^+2FC^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1172
_refine_ls_wR_factor_ref         0.1218
_reflns_number_gt                2845
_reflns_number_total             3195
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            d1dt00118c2.cif
_cod_data_source_block           staudo2_0m
_cod_depositor_comments
'Adding full bibliography for 7707038--7707041.cif.'
_cod_database_code               7707038
_shelx_res_checksum              99059