Molybdenum alkynyls as alkynyl transfer reagentsElectronic supplementary information (ESI) available: Experimental section and crystal data for 2 and 3. See http://www.rsc.org/suppdata/cc/b1/b110864f/
Pérez, Julio; Riera, Lucía; Riera, Víctor; García-Granda, Santiago; García-Rodríguez, Esther; Miguel, Daniel; Chemical Communications  (2002) 384–; doi:10.1039/b110864f

data_7114106
_publ_section_title
;
 Molybdenum alkynyls as alkynyl transfer reagentsElectronic supplementary
 information (ESI) available: Experimental section and crystal data for 2
 and 3. See http://www.rsc.org/suppdata/cc/b1/b110864f/
;
_journal_issue                   4
_journal_name_full               'Chemical Communications'
_journal_page_first              384
_journal_paper_doi               10.1039/b110864f
_journal_year                    2002
_chemical_formula_sum            'C26 H18 Cl4 N6 Ni2'
_chemical_formula_weight         673.68
_chemical_name_common
;
Dinuclear 2-(2'-pyridyl)quinoxaline nickel(II) dichloride
;
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 92.29(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.1937(19)
_cell_length_b                   14.854(4)
_cell_length_c                   10.577(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1286.3(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0568
_diffrn_reflns_av_sigmaI/netI    0.0705
_diffrn_reflns_limit_h_max       1
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            2860
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.37
_exptl_absorpt_coefficient_mu    1.909
_exptl_crystal_density_diffrn    1.739
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             680
_refine_diff_density_max         0.791
_refine_diff_density_min         -0.699
_refine_diff_density_rms         0.129
_refine_ls_extinction_coef       0.0004(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     173
_refine_ls_number_reflns         2216
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0994
_refine_ls_R_factor_gt           0.0482
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0010P)^2^+7.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1004
_refine_ls_wR_factor_ref         0.1486
_reflns_number_gt                1365
_reflns_number_total             2216
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b110864f.txt
_cod_data_source_block           compound_2
_cod_original_cell_volume        1286.4(6)
_cod_database_code               7114106