A 2,2'-bipyridine-containing covalent organic framework bearing rhenium(i) tricarbonyl moieties for CO<sub>2</sub> reduction.
Popov, Damir A.; Luna, John M.; Orchanian, Nicholas M.; Haiges, Ralf; Downes, Courtney A.; Marinescu, Smaranda C.; Dalton transactions (Cambridge, England : 2003) 47 (2018) 17450–17460; doi:10.1039/c8dt00125a

data_7048179
_publ_section_title
;
 A 2,2'-bipyridine-containing covalent organic framework bearing
 rhenium(i) tricarbonyl moieties for CO<sub>2</sub> reduction.
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17450
_journal_page_last               17460
_journal_paper_doi               10.1039/c8dt00125a
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C13 H10 Cl N4 O3 Re, C3 H7 N O'
_chemical_formula_sum            'C16 H17 Cl N5 O4 Re'
_chemical_formula_weight         564.99
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_update_record
;
2018-01-11 deposited with the CCDC.
2018-11-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.2270(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   26.2689(18)
_cell_length_b                   8.5420(6)
_cell_length_c                   17.5006(12)
_cell_measurement_reflns_used    320
_cell_measurement_temperature    100.(2)
_cell_measurement_theta_max      30.5032
_cell_measurement_theta_min      2.4447
_cell_volume                     3886.5(5)
_computing_cell_refinement       'APEX2 v2014.1-1 (Bruker AXS)'
_computing_data_collection       'Bruker Instrument Service v2012.12.0.3'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS, 2013)'
_computing_structure_refinement  'SHELXTL XLMP 2014/1 (Bruker AXS)'
_computing_structure_solution    'SHELXTL XT 2014/1 (Bruker AXS)'
_diffrn_ambient_temperature      100.(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX II CCD'
_diffrn_measurement_method       'omega- and phi-scans'
_diffrn_radiation_monochromator  'TRIUMPH curved-crystal'
_diffrn_radiation_type           'MoK\a '
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0292
_diffrn_reflns_av_unetI/netI     0.0166
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            46175
_diffrn_reflns_theta_full        30.50
_diffrn_reflns_theta_max         30.50
_diffrn_reflns_theta_min         1.57
_diffrn_source                   'fine-focus tube'
_exptl_absorpt_coefficient_mu    6.422
_exptl_absorpt_correction_T_max  0.56
_exptl_absorpt_correction_T_min  0.12
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS V2012/1'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.931
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2176
_exptl_crystal_size_max          0.575
_exptl_crystal_size_mid          0.102
_exptl_crystal_size_min          0.101
_refine_diff_density_max         0.701
_refine_diff_density_min         -0.595
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     310
_refine_ls_number_reflns         5911
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0163
_refine_ls_R_factor_gt           0.0136
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0128P)^2^+4.9525P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0308
_refine_ls_wR_factor_ref         0.0317
_reflns_number_gt                5468
_reflns_number_total             5911
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt00125a2.cif
_cod_data_source_block           I
_cod_depositor_comments          'Adding full bibliography for 7048179.cif.'
_cod_database_code               7048179
_shelx_res_checksum              65201