Activation reactions of 2-pyridyl and 2-pyrimidinyl alkynes with Ru3(CO)12
Li, Shasha; Xu, Lei; Jiang, Liping; Zhang, Guofang; Zhang, Wei-Qiang; Gao, Ziwei; New Journal of Chemistry 43 (2019) 19075–19084; doi:10.1039/C9NJ04958D

data_7059029
_publ_section_title
;
 Activation reactions of 2-pyridyl and 2-pyrimidinyl alkynes with
 Ru3(CO)12
;
_journal_issue                   48
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              19075
_journal_page_last               19084
_journal_paper_doi               10.1039/C9NJ04958D
_journal_volume                  43
_journal_year                    2019
_chemical_formula_sum            'C22 H11 N O8 Ru3'
_chemical_formula_weight         720.53
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-11-04 deposited with the CCDC.	2019-11-07 downloaded from the CCDC.
;
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_cell_angle_beta                 94.157(5)
_cell_angle_gamma                102.600(5)
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_cell_length_b                   9.9791(19)
_cell_length_c                   14.213(3)
_cell_measurement_reflns_used    36025
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      26.38
_cell_measurement_theta_min      3.70
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_computing_cell_refinement       'SAINT (Bruker AXS Inc., 2012)'
_computing_data_collection       'APEX2 (Bruker AXS Inc., 2012)'
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_computing_publication_material  'SHELXTL (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS (Sheldrick, 2014)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEX II CCD'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_Laue_measured_fraction_full 0.981
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_diffrn_reflns_limit_l_min       -17
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_diffrn_reflns_point_group_measured_fraction_full 0.981
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_exptl_absorpt_coefficient_mu    2.038
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            colorless
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_exptl_crystal_description       prism
_exptl_crystal_F_000             692
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_exptl_crystal_size_mid          0.130
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_restrained_S_all      1.136
_refine_ls_R_factor_all          0.0166
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_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0194P)^2^+0.9006P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_original_cell_volume        1124.4(4)
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_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.750
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_shelx_res_checksum              96784