##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in          #
# Acta Crystallographica Section E. It conforms to the requirements of       #
# Notes for Authors for Acta Crystallographica Section E, and has been       #
# peer reviewed under the auspices of the IUCr Commission on Journals.       #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
(Acetonitrile-1κN)[μ-N-(pyridin-2-ylcarbonyl)pyridine-2-\
carboxamidato-1:2κ⁵N,N',N'':O,O']\
[N-(pyridin-2-ylcarbonyl)pyridine-2-carboxamidato-
2κ³N,N',N'']bis(trifluoromethanesulfonato-\
1κO)dicopper(II)
;
_chemical_name_common     ?
_chemical_formula_moiety     'C28 H19 Cu2 F6 N7 O10 S2'
_chemical_formula_sum     'C28 H19 Cu2 F6 N7 O10 S2'
_chemical_formula_iupac     '[Cu2 (C12 H8 N3 O2)2 (C F3 S O3)2 (C2 H3 N)]'
_chemical_formula_weight     918.70
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     8.9726(7)
_cell_length_b     10.0569(8)
_cell_length_c     18.3689(15)
_cell_angle_alpha     82.5730(10)
_cell_angle_beta     83.8020(10)
_cell_angle_gamma     82.2220(10)
_cell_volume     1621.6(2)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     6358
_cell_measurement_theta_min     2.22
_cell_measurement_theta_max     28.27
_cell_measurement_temperature     100(2)
_exptl_crystal_description     'rectangular prism'
_exptl_crystal_colour     'green'
_exptl_crystal_size_max     0.32
_exptl_crystal_size_mid     0.24
_exptl_crystal_size_min     0.18
_exptl_crystal_density_diffrn     1.882
_exptl_crystal_density_meas     .
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     920
_exptl_absorpt_coefficient_mu     1.545
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Bruker, 2001)'
_exptl_absorpt_correction_T_min     0.6376
_exptl_absorpt_correction_T_max     0.7684
_exptl_special_details     ?
_diffrn_ambient_temperature     100(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker SMART CCD area-detector'
_diffrn_measurement_method     'phi and omega scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     15254
_diffrn_reflns_av_R_equivalents     0.0235
_diffrn_reflns_av_sigmaI/netI     0.0277
_diffrn_reflns_theta_min     2.06
_diffrn_reflns_theta_max     25.00
_diffrn_reflns_theta_full     25.00
_diffrn_measured_fraction_theta_max     0.997
_diffrn_measured_fraction_theta_full     0.997
_diffrn_reflns_limit_h_min     -10
_diffrn_reflns_limit_h_max     10
_diffrn_reflns_limit_k_min     -11
_diffrn_reflns_limit_k_max     11
_diffrn_reflns_limit_l_min     -21
_diffrn_reflns_limit_l_max     21
_diffrn_standards_number     0
_diffrn_standards_interval_count     .
_diffrn_standards_interval_time     .
_diffrn_standards_decay_%     ?
_refine_special_details
;
Refinement of F² against ALL reflections. The weighted R-factor
wR and goodness of fit S are based on F², conventional
R-factors R are based on F, with F set to zero for
negative F². The threshold expression of F² >
σ(F²) is used only for calculating R-factors(gt) etc.
and is not relevant to the choice of reflections for refinement.
R-factors based on F² are statistically about twice as large
as those based on F, and R- factors based on ALL data will be
even larger.
;
_reflns_number_total     5686
_reflns_number_gt     5292
_reflns_threshold_expression     >2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0352
_refine_ls_R_factor_gt     0.0328
_refine_ls_wR_factor_gt     0.0856
_refine_ls_wR_factor_ref     0.0873
_refine_ls_goodness_of_fit_ref     1.044
_refine_ls_restrained_S_all     1.044
_refine_ls_number_reflns     5686
_refine_ls_number_parameters     497
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0451P)²+2.0646P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.008
_refine_ls_shift/su_mean     0.001
_refine_diff_density_max     0.828
_refine_diff_density_min     -0.501
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'F' 'F' 0.0171 0.0103
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'S' 'S' 0.1246 0.1234
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cu' 'Cu' 0.3201 1.2651
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'SMART (Bruker, 2001)'
_computing_cell_refinement     'SAINT-Plus (Bruker, 2001)'
_computing_data_reduction     'SAINT-Plus (Bruker, 2001)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics
                     'SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 2006)'
_computing_publication_material
                             'SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009)'
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_symmetry_multiplicity
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Cu Cu1 0.84461(3) 0.49089(3) 0.586455(16) 0.01596(10) Uani d . 1 1 . .
    Cu Cu2 0.71274(4) 0.65971(3) 0.851929(17) 0.02035(10) Uani d . 1 1 . .
    S S1 0.90238(8) 0.33964(7) 0.90897(4) 0.02539(16) Uani d . 1 1 . .
    S S2 0.55073(7) 0.99281(7) 0.74959(4) 0.02062(15) Uani d . 1 1 . .
    F F1 0.7268(3) 0.1888(2) 0.99513(11) 0.0517(6) Uani d . 1 1 . .
    F F2 0.8668(3) 0.08502(19) 0.91195(12) 0.0532(6) Uani d . 1 1 . .
    F F3 0.6749(2) 0.2241(2) 0.88165(13) 0.0564(6) Uani d . 1 1 . .
    F F4 0.8208(2) 1.0523(2) 0.76493(11) 0.0508(5) Uani d . 1 1 . .
    F F5 0.7233(2) 1.15490(17) 0.66873(11) 0.0381(4) Uani d . 1 1 . .
    F F6 0.8107(2) 0.94594(19) 0.67342(11) 0.0416(5) Uani d . 1 1 . .
    N N1 0.9880(2) 0.3263(2) 0.60772(11) 0.0176(4) Uani d . 1 1 . .
    N N2 0.8212(2) 0.4073(2) 0.50069(11) 0.0170(4) Uani d . 1 1 . .
    N N3 0.6971(2) 0.6358(2) 0.54179(11) 0.0175(4) Uani d . 1 1 . .
    N N4 0.5243(2) 0.5723(2) 0.85181(12) 0.0197(5) Uani d . 1 1 . .
    N N5 0.7535(2) 0.5968(2) 0.75566(12) 0.0201(5) Uani d . 1 1 . .
    N N6 0.9188(2) 0.7201(2) 0.82471(12) 0.0191(5) Uani d . 1 1 . .
    N N7 0.6692(3) 0.7400(2) 0.94561(12) 0.0237(5) Uani d . 1 1 . .
    O O1 0.8791(2) 0.20122(18) 0.45319(10) 0.0241(4) Uani d . 1 1 . .
    O O2 0.6910(2) 0.44173(19) 0.39529(10) 0.0236(4) Uani d . 1 1 . .
    O O3 0.6675(2) 0.45898(18) 0.68097(9) 0.0202(4) Uani d . 1 1 . .
    O O4 0.9287(2) 0.59552(18) 0.65287(10) 0.0200(4) Uani d . 1 1 . .
    O O5 0.7980(2) 0.4528(2) 0.92880(11) 0.0309(5) Uani d . 1 1 . .
    O O6 1.0187(2) 0.2967(2) 0.95778(12) 0.0374(5) Uani d . 1 1 . .
    O O7 0.9513(2) 0.3449(2) 0.83152(11) 0.0367(5) Uani d . 1 1 . .
    O O8 0.5841(3) 0.8840(2) 0.80548(13) 0.0442(6) Uani d . 1 1 . .
    O O9 0.4725(2) 1.1139(2) 0.77653(12) 0.0339(5) Uani d . 1 1 . .
    O O10 0.4920(2) 0.9585(2) 0.68607(12) 0.0342(5) Uani d . 1 1 . .
    C C1 1.0716(3) 0.2935(3) 0.66516(15) 0.0228(6) Uani d . 1 1 . .
    H H1 1.0666 0.3552 0.7006 0.027 Uiso calc R 1 1 . .
    C C2 1.1649(3) 0.1725(3) 0.67427(16) 0.0264(6) Uani d . 1 1 . .
    H H2 1.2239 0.1514 0.7152 0.032 Uiso calc R 1 1 . .
    C C3 1.1708(3) 0.0831(3) 0.62301(15) 0.0246(6) Uani d . 1 1 . .
    H H3 1.2344 -0.0005 0.6281 0.030 Uiso calc R 1 1 . .
    C C4 1.0842(3) 0.1154(3) 0.56420(15) 0.0211(6) Uani d . 1 1 . .
    H H4 1.0867 0.0546 0.5284 0.025 Uiso calc R 1 1 . .
    C C5 0.9936(3) 0.2380(3) 0.55840(14) 0.0176(5) Uani d . 1 1 . .
    C C6 0.8920(3) 0.2789(2) 0.49648(14) 0.0175(5) Uani d . 1 1 . .
    C C7 0.7229(3) 0.4747(3) 0.45235(14) 0.0181(5) Uani d . 1 1 . .
    C C8 0.6495(3) 0.6052(3) 0.47920(13) 0.0171(5) Uani d . 1 1 . .
    C C9 0.5377(3) 0.6875(3) 0.44324(14) 0.0201(5) Uani d . 1 1 . .
    H H9 0.5069 0.6650 0.3989 0.024 Uiso calc R 1 1 . .
    C C10 0.4715(3) 0.8028(3) 0.47282(15) 0.0228(6) Uani d . 1 1 . .
    H H10 0.3949 0.8616 0.4489 0.027 Uiso calc R 1 1 . .
    C C11 0.5179(3) 0.8319(3) 0.53755(15) 0.0223(6) Uani d . 1 1 . .
    H H11 0.4716 0.9097 0.5594 0.027 Uiso calc R 1 1 . .
    C C12 0.6315(3) 0.7474(3) 0.57013(14) 0.0207(6) Uani d . 1 1 . .
    H H12 0.6645 0.7690 0.6141 0.025 Uiso calc R 1 1 . .
    C C13 0.4100(3) 0.5647(3) 0.90416(15) 0.0232(6) Uani d . 1 1 . .
    H H13 0.4128 0.6060 0.9476 0.028 Uiso calc R 1 1 . .
    C C14 0.2871(3) 0.4986(3) 0.89746(15) 0.0243(6) Uani d . 1 1 . .
    H H14 0.2068 0.4951 0.9356 0.029 Uiso calc R 1 1 . .
    C C15 0.2829(3) 0.4384(3) 0.83506(15) 0.0258(6) Uani d . 1 1 . .
    H H15 0.1990 0.3937 0.8291 0.031 Uiso calc R 1 1 . .
    C C16 0.4027(3) 0.4434(3) 0.78055(15) 0.0230(6) Uani d . 1 1 . .
    H H16 0.4031 0.4012 0.7371 0.028 Uiso calc R 1 1 . .
    C C17 0.5205(3) 0.5109(3) 0.79105(14) 0.0187(5) Uani d . 1 1 . .
    C C18 0.6545(3) 0.5187(3) 0.73564(14) 0.0187(5) Uani d . 1 1 . .
    C C19 0.8827(3) 0.6220(2) 0.71644(13) 0.0166(5) Uani d . 1 1 . .
    C C20 0.9778(3) 0.6941(2) 0.75634(14) 0.0176(5) Uani d . 1 1 . .
    C C21 1.1151(3) 0.7301(3) 0.72523(14) 0.0201(5) Uani d . 1 1 . .
    H H21 1.1531 0.7101 0.6770 0.024 Uiso calc R 1 1 . .
    C C22 1.1966(3) 0.7964(3) 0.76622(15) 0.0232(6) Uani d . 1 1 . .
    H H22 1.2918 0.8230 0.7466 0.028 Uiso calc R 1 1 . .
    C C23 1.1370(3) 0.8229(3) 0.83589(15) 0.0252(6) Uani d . 1 1 . .
    H H23 1.1909 0.8681 0.8649 0.030 Uiso calc R 1 1 . .
    C C24 0.9979(3) 0.7832(3) 0.86351(15) 0.0233(6) Uani d . 1 1 . .
    H H24 0.9579 0.8018 0.9117 0.028 Uiso calc R 1 1 . .
    C C25 0.6605(3) 0.7991(3) 0.99484(16) 0.0266(6) Uani d . 1 1 . .
    C C26 0.6546(4) 0.8740(3) 1.05813(17) 0.0329(7) Uani d . 1 1 . .
    H H26A 0.7570 0.8726 1.0724 0.049 Uiso calc R 1 1 . .
    H H26B 0.5919 0.8321 1.0995 0.049 Uiso calc R 1 1 . .
    H H26C 0.6110 0.9677 1.0451 0.049 Uiso calc R 1 1 . .
    C C27 0.7879(4) 0.2023(3) 0.92485(18) 0.0374(7) Uani d . 1 1 . .
    C C28 0.7356(3) 1.0402(3) 0.71278(16) 0.0254(6) Uani d . 1 1 . .
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Cu1 N2 . 1.922(2) ?
    Cu1 O4 . 1.9772(18) ?
    Cu1 N1 . 1.978(2) ?
    Cu1 N3 . 1.988(2) ?
    Cu1 O3 . 2.2452(18) ?
    Cu2 N5 . 1.936(2) ?
    Cu2 N7 . 1.973(2) ?
    Cu2 N4 . 2.008(2) ?
    Cu2 N6 . 2.016(2) ?
    Cu2 O5 . 2.439(2) ?
    S1 O5 . 1.432(2) ?
    S1 O6 . 1.435(2) ?
    S1 O7 . 1.439(2) ?
    S1 C27 . 1.807(3) ?
    S2 O8 . 1.424(2) ?
    S2 O10 . 1.430(2) ?
    S2 O9 . 1.439(2) ?
    S2 C28 . 1.823(3) ?
    F1 C27 . 1.344(4) ?
    F2 C27 . 1.326(4) ?
    F3 C27 . 1.332(4) ?
    F4 C28 . 1.316(3) ?
    F5 C28 . 1.320(3) ?
    F6 C28 . 1.332(3) ?
    N1 C5 . 1.341(3) ?
    N1 C1 . 1.341(3) ?
    N2 C6 . 1.367(3) ?
    N2 C7 . 1.371(3) ?
    N3 C12 . 1.335(3) ?
    N3 C8 . 1.354(3) ?
    N4 C13 . 1.331(4) ?
    N4 C17 . 1.349(3) ?
    N5 C19 . 1.333(3) ?
    N5 C18 . 1.370(3) ?
    N6 C24 . 1.327(3) ?
    N6 C20 . 1.353(3) ?
    N7 C25 . 1.135(4) ?
    O1 C6 . 1.209(3) ?
    O2 C7 . 1.213(3) ?
    O3 C18 . 1.222(3) ?
    O4 C19 . 1.246(3) ?
    C1 C2 . 1.382(4) ?
    C1 H1 . 0.9500 ?
    C2 C3 . 1.376(4) ?
    C2 H2 . 0.9500 ?
    C3 C4 . 1.378(4) ?
    C3 H3 . 0.9500 ?
    C4 C5 . 1.381(4) ?
    C4 H4 . 0.9500 ?
    C5 C6 . 1.515(4) ?
    C7 C8 . 1.505(3) ?
    C8 C9 . 1.380(4) ?
    C9 C10 . 1.378(4) ?
    C9 H9 . 0.9500 ?
    C10 C11 . 1.379(4) ?
    C10 H10 . 0.9500 ?
    C11 C12 . 1.373(4) ?
    C11 H11 . 0.9500 ?
    C12 H12 . 0.9500 ?
    C13 C14 . 1.387(4) ?
    C13 H13 . 0.9500 ?
    C14 C15 . 1.370(4) ?
    C14 H14 . 0.9500 ?
    C15 C16 . 1.389(4) ?
    C15 H15 . 0.9500 ?
    C16 C17 . 1.374(4) ?
    C16 H16 . 0.9500 ?
    C17 C18 . 1.493(4) ?
    C19 C20 . 1.493(4) ?
    C20 C21 . 1.375(4) ?
    C21 C22 . 1.388(4) ?
    C21 H21 . 0.9500 ?
    C22 C23 . 1.377(4) ?
    C22 H22 . 0.9500 ?
    C23 C24 . 1.385(4) ?
    C23 H23 . 0.9500 ?
    C24 H24 . 0.9500 ?
    C25 C26 . 1.457(4) ?
    C26 H26A . 0.9800 ?
    C26 H26B . 0.9800 ?
    C26 H26C . 0.9800 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    N2 Cu1 O4 . . 160.54(8) ?
    N2 Cu1 N1 . . 82.83(9) ?
    O4 Cu1 N1 . . 94.22(8) ?
    N2 Cu1 N3 . . 82.65(9) ?
    O4 Cu1 N3 . . 99.18(8) ?
    N1 Cu1 N3 . . 165.44(9) ?
    N2 Cu1 O3 . . 115.15(8) ?
    O4 Cu1 O3 . . 84.30(7) ?
    N1 Cu1 O3 . . 99.70(8) ?
    N3 Cu1 O3 . . 87.33(8) ?
    N5 Cu2 N7 . . 175.01(10) ?
    N5 Cu2 N4 . . 81.63(9) ?
    N7 Cu2 N4 . . 100.19(9) ?
    N5 Cu2 N6 . . 81.49(9) ?
    N7 Cu2 N6 . . 96.84(9) ?
    N4 Cu2 N6 . . 162.92(9) ?
    N5 Cu2 O5 . . 99.74(8) ?
    N7 Cu2 O5 . . 85.09(8) ?
    N4 Cu2 O5 . . 84.15(8) ?
    N6 Cu2 O5 . . 96.16(8) ?
    O5 S1 O6 . . 114.89(13) ?
    O5 S1 O7 . . 114.47(13) ?
    O6 S1 O7 . . 115.54(13) ?
    O5 S1 C27 . . 102.93(14) ?
    O6 S1 C27 . . 103.22(15) ?
    O7 S1 C27 . . 103.38(15) ?
    O8 S2 O10 . . 115.97(15) ?
    O8 S2 O9 . . 114.56(14) ?
    O10 S2 O9 . . 113.69(13) ?
    O8 S2 C28 . . 103.89(13) ?
    O10 S2 C28 . . 102.71(13) ?
    O9 S2 C28 . . 103.82(13) ?
    C5 N1 C1 . . 118.9(2) ?
    C5 N1 Cu1 . . 113.08(17) ?
    C1 N1 Cu1 . . 128.01(18) ?
    C6 N2 C7 . . 124.7(2) ?
    C6 N2 Cu1 . . 117.27(17) ?
    C7 N2 Cu1 . . 117.67(17) ?
    C12 N3 C8 . . 118.8(2) ?
    C12 N3 Cu1 . . 127.81(18) ?
    C8 N3 Cu1 . . 112.95(17) ?
    C13 N4 C17 . . 118.3(2) ?
    C13 N4 Cu2 . . 128.22(19) ?
    C17 N4 Cu2 . . 113.47(17) ?
    C19 N5 C18 . . 124.5(2) ?
    C19 N5 Cu2 . . 117.75(17) ?
    C18 N5 Cu2 . . 117.49(17) ?
    C24 N6 C20 . . 118.2(2) ?
    C24 N6 Cu2 . . 128.81(19) ?
    C20 N6 Cu2 . . 112.96(17) ?
    C25 N7 Cu2 . . 169.2(2) ?
    C18 O3 Cu1 . . 123.40(17) ?
    C19 O4 Cu1 . . 130.64(17) ?
    S1 O5 Cu2 . . 128.85(12) ?
    N1 C1 C2 . . 121.9(3) ?
    N1 C1 H1 . . 119.0 ?
    C2 C1 H1 . . 119.0 ?
    C3 C2 C1 . . 118.7(3) ?
    C3 C2 H2 . . 120.6 ?
    C1 C2 H2 . . 120.6 ?
    C2 C3 C4 . . 119.8(3) ?
    C2 C3 H3 . . 120.1 ?
    C4 C3 H3 . . 120.1 ?
    C3 C4 C5 . . 118.5(3) ?
    C3 C4 H4 . . 120.7 ?
    C5 C4 H4 . . 120.7 ?
    N1 C5 C4 . . 122.2(2) ?
    N1 C5 C6 . . 116.2(2) ?
    C4 C5 C6 . . 121.6(2) ?
    O1 C6 N2 . . 128.9(2) ?
    O1 C6 C5 . . 121.0(2) ?
    N2 C6 C5 . . 110.1(2) ?
    O2 C7 N2 . . 129.0(2) ?
    O2 C7 C8 . . 120.4(2) ?
    N2 C7 C8 . . 110.6(2) ?
    N3 C8 C9 . . 121.9(2) ?
    N3 C8 C7 . . 116.0(2) ?
    C9 C8 C7 . . 122.1(2) ?
    C10 C9 C8 . . 118.7(2) ?
    C10 C9 H9 . . 120.6 ?
    C8 C9 H9 . . 120.6 ?
    C9 C10 C11 . . 119.2(2) ?
    C9 C10 H10 . . 120.4 ?
    C11 C10 H10 . . 120.4 ?
    C12 C11 C10 . . 119.4(2) ?
    C12 C11 H11 . . 120.3 ?
    C10 C11 H11 . . 120.3 ?
    N3 C12 C11 . . 122.0(2) ?
    N3 C12 H12 . . 119.0 ?
    C11 C12 H12 . . 119.0 ?
    N4 C13 C14 . . 122.3(3) ?
    N4 C13 H13 . . 118.9 ?
    C14 C13 H13 . . 118.9 ?
    C15 C14 C13 . . 119.1(3) ?
    C15 C14 H14 . . 120.5 ?
    C13 C14 H14 . . 120.5 ?
    C14 C15 C16 . . 119.3(3) ?
    C14 C15 H15 . . 120.3 ?
    C16 C15 H15 . . 120.3 ?
    C17 C16 C15 . . 118.3(3) ?
    C17 C16 H16 . . 120.9 ?
    C15 C16 H16 . . 120.9 ?
    N4 C17 C16 . . 122.8(2) ?
    N4 C17 C18 . . 115.7(2) ?
    C16 C17 C18 . . 121.5(2) ?
    O3 C18 N5 . . 127.5(2) ?
    O3 C18 C17 . . 121.2(2) ?
    N5 C18 C17 . . 111.3(2) ?
    O4 C19 N5 . . 128.4(2) ?
    O4 C19 C20 . . 118.8(2) ?
    N5 C19 C20 . . 112.7(2) ?
    N6 C20 C21 . . 123.2(2) ?
    N6 C20 C19 . . 115.0(2) ?
    C21 C20 C19 . . 121.8(2) ?
    C20 C21 C22 . . 118.1(2) ?
    C20 C21 H21 . . 120.9 ?
    C22 C21 H21 . . 120.9 ?
    C23 C22 C21 . . 118.8(3) ?
    C23 C22 H22 . . 120.6 ?
    C21 C22 H22 . . 120.6 ?
    C22 C23 C24 . . 119.7(3) ?
    C22 C23 H23 . . 120.2 ?
    C24 C23 H23 . . 120.2 ?
    N6 C24 C23 . . 122.0(3) ?
    N6 C24 H24 . . 119.0 ?
    C23 C24 H24 . . 119.0 ?
    N7 C25 C26 . . 178.2(3) ?
    C25 C26 H26A . . 109.5 ?
    C25 C26 H26B . . 109.5 ?
    H26A C26 H26B . . 109.5 ?
    C25 C26 H26C . . 109.5 ?
    H26A C26 H26C . . 109.5 ?
    H26B C26 H26C . . 109.5 ?
    F2 C27 F3 . . 107.4(3) ?
    F2 C27 F1 . . 107.6(3) ?
    F3 C27 F1 . . 107.6(3) ?
    F2 C27 S1 . . 112.3(2) ?
    F3 C27 S1 . . 111.2(2) ?
    F1 C27 S1 . . 110.5(2) ?
    F4 C28 F5 . . 108.4(2) ?
    F4 C28 F6 . . 106.6(2) ?
    F5 C28 F6 . . 107.3(2) ?
    F4 C28 S2 . . 112.5(2) ?
    F5 C28 S2 . . 111.41(19) ?
    F6 C28 S2 . . 110.37(19) ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    N2 Cu1 N1 C5 . . . . -3.42(18) ?
    O4 Cu1 N1 C5 . . . . -164.09(17) ?
    N3 Cu1 N1 C5 . . . . -7.1(4) ?
    O3 Cu1 N1 C5 . . . . 110.98(17) ?
    N2 Cu1 N1 C1 . . . . 179.3(2) ?
    O4 Cu1 N1 C1 . . . . 18.6(2) ?
    N3 Cu1 N1 C1 . . . . 175.6(3) ?
    O3 Cu1 N1 C1 . . . . -66.4(2) ?
    O4 Cu1 N2 C6 . . . . 88.9(3) ?
    N1 Cu1 N2 C6 . . . . 6.56(18) ?
    N3 Cu1 N2 C6 . . . . -174.4(2) ?
    O3 Cu1 N2 C6 . . . . -90.82(19) ?
    O4 Cu1 N2 C7 . . . . -97.7(3) ?
    N1 Cu1 N2 C7 . . . . 179.96(19) ?
    N3 Cu1 N2 C7 . . . . -0.96(18) ?
    O3 Cu1 N2 C7 . . . . 82.58(19) ?
    N2 Cu1 N3 C12 . . . . 175.1(2) ?
    O4 Cu1 N3 C12 . . . . -24.5(2) ?
    N1 Cu1 N3 C12 . . . . 178.7(3) ?
    O3 Cu1 N3 C12 . . . . 59.3(2) ?
    N2 Cu1 N3 C8 . . . . 2.79(17) ?
    O4 Cu1 N3 C8 . . . . 163.21(17) ?
    N1 Cu1 N3 C8 . . . . 6.4(4) ?
    O3 Cu1 N3 C8 . . . . -113.00(17) ?
    N5 Cu2 N4 C13 . . . . -179.7(2) ?
    N7 Cu2 N4 C13 . . . . -4.4(2) ?
    N6 Cu2 N4 C13 . . . . 171.5(3) ?
    O5 Cu2 N4 C13 . . . . 79.6(2) ?
    N5 Cu2 N4 C17 . . . . 2.86(18) ?
    N7 Cu2 N4 C17 . . . . 178.15(18) ?
    N6 Cu2 N4 C17 . . . . -6.0(4) ?
    O5 Cu2 N4 C17 . . . . -97.92(18) ?
    N4 Cu2 N5 C19 . . . . -179.5(2) ?
    N6 Cu2 N5 C19 . . . . -2.17(19) ?
    O5 Cu2 N5 C19 . . . . -97.01(19) ?
    N4 Cu2 N5 C18 . . . . -5.51(19) ?
    N6 Cu2 N5 C18 . . . . 171.9(2) ?
    O5 Cu2 N5 C18 . . . . 77.03(19) ?
    N5 Cu2 N6 C24 . . . . -179.7(2) ?
    N7 Cu2 N6 C24 . . . . 5.0(2) ?
    N4 Cu2 N6 C24 . . . . -170.9(3) ?
    O5 Cu2 N6 C24 . . . . -80.8(2) ?
    N5 Cu2 N6 C20 . . . . 2.40(17) ?
    N7 Cu2 N6 C20 . . . . -172.86(18) ?
    N4 Cu2 N6 C20 . . . . 11.3(4) ?
    O5 Cu2 N6 C20 . . . . 101.37(17) ?
    N4 Cu2 N7 C25 . . . . -158.9(13) ?
    N6 Cu2 N7 C25 . . . . 22.3(13) ?
    O5 Cu2 N7 C25 . . . . 117.9(13) ?
    N2 Cu1 O3 C18 . . . . -170.46(19) ?
    O4 Cu1 O3 C18 . . . . 9.6(2) ?
    N1 Cu1 O3 C18 . . . . 103.0(2) ?
    N3 Cu1 O3 C18 . . . . -89.9(2) ?
    N2 Cu1 O4 C19 . . . . 178.8(2) ?
    N1 Cu1 O4 C19 . . . . -100.9(2) ?
    N3 Cu1 O4 C19 . . . . 84.8(2) ?
    O3 Cu1 O4 C19 . . . . -1.5(2) ?
    O6 S1 O5 Cu2 . . . . 130.69(15) ?
    O7 S1 O5 Cu2 . . . . -6.5(2) ?
    C27 S1 O5 Cu2 . . . . -117.89(17) ?
    N5 Cu2 O5 S1 . . . . 22.78(18) ?
    N7 Cu2 O5 S1 . . . . -155.98(17) ?
    N4 Cu2 O5 S1 . . . . 103.22(17) ?
    N6 Cu2 O5 S1 . . . . -59.61(17) ?
    C5 N1 C1 C2 . . . . 1.0(4) ?
    Cu1 N1 C1 C2 . . . . 178.2(2) ?
    N1 C1 C2 C3 . . . . -0.5(4) ?
    C1 C2 C3 C4 . . . . -0.2(4) ?
    C2 C3 C4 C5 . . . . 0.2(4) ?
    C1 N1 C5 C4 . . . . -0.9(4) ?
    Cu1 N1 C5 C4 . . . . -178.5(2) ?
    C1 N1 C5 C6 . . . . 177.7(2) ?
    Cu1 N1 C5 C6 . . . . 0.1(3) ?
    C3 C4 C5 N1 . . . . 0.3(4) ?
    C3 C4 C5 C6 . . . . -178.3(2) ?
    C7 N2 C6 O1 . . . . -2.7(4) ?
    Cu1 N2 C6 O1 . . . . 170.2(2) ?
    C7 N2 C6 C5 . . . . 179.3(2) ?
    Cu1 N2 C6 C5 . . . . -7.8(3) ?
    N1 C5 C6 O1 . . . . -173.4(2) ?
    C4 C5 C6 O1 . . . . 5.3(4) ?
    N1 C5 C6 N2 . . . . 4.8(3) ?
    C4 C5 C6 N2 . . . . -176.5(2) ?
    C6 N2 C7 O2 . . . . -7.3(4) ?
    Cu1 N2 C7 O2 . . . . 179.8(2) ?
    C6 N2 C7 C8 . . . . 172.0(2) ?
    Cu1 N2 C7 C8 . . . . -0.9(3) ?
    C12 N3 C8 C9 . . . . 1.4(4) ?
    Cu1 N3 C8 C9 . . . . 174.49(19) ?
    C12 N3 C8 C7 . . . . -177.1(2) ?
    Cu1 N3 C8 C7 . . . . -4.1(3) ?
    O2 C7 C8 N3 . . . . -177.3(2) ?
    N2 C7 C8 N3 . . . . 3.3(3) ?
    O2 C7 C8 C9 . . . . 4.1(4) ?
    N2 C7 C8 C9 . . . . -175.3(2) ?
    N3 C8 C9 C10 . . . . -1.0(4) ?
    C7 C8 C9 C10 . . . . 177.4(2) ?
    C8 C9 C10 C11 . . . . -0.5(4) ?
    C9 C10 C11 C12 . . . . 1.7(4) ?
    C8 N3 C12 C11 . . . . -0.2(4) ?
    Cu1 N3 C12 C11 . . . . -172.1(2) ?
    C10 C11 C12 N3 . . . . -1.3(4) ?
    C17 N4 C13 C14 . . . . -1.4(4) ?
    Cu2 N4 C13 C14 . . . . -178.7(2) ?
    N4 C13 C14 C15 . . . . 0.3(4) ?
    C13 C14 C15 C16 . . . . 0.9(4) ?
    C14 C15 C16 C17 . . . . -1.0(4) ?
    C13 N4 C17 C16 . . . . 1.3(4) ?
    Cu2 N4 C17 C16 . . . . 179.0(2) ?
    C13 N4 C17 C18 . . . . -177.8(2) ?
    Cu2 N4 C17 C18 . . . . -0.1(3) ?
    C15 C16 C17 N4 . . . . -0.1(4) ?
    C15 C16 C17 C18 . . . . 178.9(2) ?
    Cu1 O3 C18 N5 . . . . -10.9(4) ?
    Cu1 O3 C18 C17 . . . . 169.94(17) ?
    C19 N5 C18 O3 . . . . 1.1(4) ?
    Cu2 N5 C18 O3 . . . . -172.5(2) ?
    C19 N5 C18 C17 . . . . -179.7(2) ?
    Cu2 N5 C18 C17 . . . . 6.7(3) ?
    N4 C17 C18 O3 . . . . 175.1(2) ?
    C16 C17 C18 O3 . . . . -4.0(4) ?
    N4 C17 C18 N5 . . . . -4.2(3) ?
    C16 C17 C18 N5 . . . . 176.7(2) ?
    Cu1 O4 C19 N5 . . . . -6.8(4) ?
    Cu1 O4 C19 C20 . . . . 174.63(16) ?
    C18 N5 C19 O4 . . . . 9.3(4) ?
    Cu2 N5 C19 O4 . . . . -177.1(2) ?
    C18 N5 C19 C20 . . . . -172.1(2) ?
    Cu2 N5 C19 C20 . . . . 1.5(3) ?
    C24 N6 C20 C21 . . . . -0.1(4) ?
    Cu2 N6 C20 C21 . . . . 178.0(2) ?
    C24 N6 C20 C19 . . . . 179.6(2) ?
    Cu2 N6 C20 C19 . . . . -2.3(3) ?
    O4 C19 C20 N6 . . . . 179.4(2) ?
    N5 C19 C20 N6 . . . . 0.6(3) ?
    O4 C19 C20 C21 . . . . -0.9(4) ?
    N5 C19 C20 C21 . . . . -179.7(2) ?
    N6 C20 C21 C22 . . . . -0.1(4) ?
    C19 C20 C21 C22 . . . . -179.8(2) ?
    C20 C21 C22 C23 . . . . 0.1(4) ?
    C21 C22 C23 C24 . . . . 0.0(4) ?
    C20 N6 C24 C23 . . . . 0.2(4) ?
    Cu2 N6 C24 C23 . . . . -177.5(2) ?
    C22 C23 C24 N6 . . . . -0.2(4) ?
    O5 S1 C27 F2 . . . . -177.7(2) ?
    O6 S1 C27 F2 . . . . -57.9(3) ?
    O7 S1 C27 F2 . . . . 62.9(3) ?
    O5 S1 C27 F3 . . . . 61.9(3) ?
    O6 S1 C27 F3 . . . . -178.2(2) ?
    O7 S1 C27 F3 . . . . -57.5(3) ?
    O5 S1 C27 F1 . . . . -57.5(3) ?
    O6 S1 C27 F1 . . . . 62.3(3) ?
    O7 S1 C27 F1 . . . . -176.9(2) ?
    O8 S2 C28 F4 . . . . -47.3(2) ?
    O10 S2 C28 F4 . . . . -168.5(2) ?
    O9 S2 C28 F4 . . . . 72.8(2) ?
    O8 S2 C28 F5 . . . . -169.3(2) ?
    O10 S2 C28 F5 . . . . 69.5(2) ?
    O9 S2 C28 F5 . . . . -49.2(2) ?
    O8 S2 C28 F6 . . . . 71.6(2) ?
    O10 S2 C28 F6 . . . . -49.6(2) ?
    O9 S2 C28 F6 . . . . -168.27(19) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    C2 H2 O9 1_645 0.95 2.57 3.448(3) 154
    C4 H4 O1 2_756 0.95 2.53 3.210(4) 128
    C10 H10 F5 2_676 0.95 2.54 3.239(3) 130
    C21 H21 O1 2_766 0.95 2.48 3.257(3) 140
    C21 H21 O2 2_766 0.95 2.37 3.203(3) 147
    C22 H22 O10 1_655 0.95 2.48 3.400(3) 163
data_global
_journal_date_recd_electronic     2012-08-02
_journal_date_accepted     2012-09-06
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2012
_journal_volume     68
_journal_issue     10
_journal_page_first     m1280
_journal_page_last     m1281
_journal_paper_category     QM
_journal_paper_doi     10.1107/S1600536812038330
_journal_coeditor_code     WM2669
_publ_contact_author_name     'José J. Campos-Gaxiola'
_publ_contact_author_address
;
Facultad de Ingeniería Mochis, Universidad Autónoma de Sinaloa, Fuente de
Poseidón y Prol. Ángel Flores, 81223 Los Mochis, Sinaloa, México.
;
_publ_contact_author_email     'gaxiolajose@yahoo.com.mx'
_publ_contact_author_fax     '+52 5556162203'
_publ_contact_author_phone     '+52 5556224514'
_publ_section_title
;
Two coordination modes of CuII in a binuclear complex with
N-(pyridin-2-ylcarbonyl)pyridine-2-carboxamidate ligands
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Campos-Gaxiola, José J.' .
;
Facultad de Ingeniería Mochis, Universidad Autónoma de Sinaloa,
Fuente de Poseidón y Prol. Ángel Flores, 81223 Los Mochis, Sinaloa,
 Mexico
;
    'Morales-Morales, David' .
;
Instituto de Química
Universidad Nacional Autónoma de México
Circuito exterior, Ciudad Universitaria,
México, D.F., 04510, Mexico
;
    'Höpfl, Herbert' .
;
Centro de Investigaciones Químicas,
Universidad Autónoma del estado de Morelos,
Av. Universidad 1001, 62209 Cuernavaca, Morelos, Mexico
;
    'Parra-Hake, Miguel' .
;
Centro de Graduados e Investigación del Instituto Tecnológico de Tijuana,
Apdo. Postal 1166, 22500 Tijuana, BC, Mexico
;
    'Reyes-Martínez, Reyna' .
;
Instituto de Química
Universidad Nacional Autónoma de México
Circuito exterior, Ciudad Universitaria,
México, D.F., 04510, Mexico
;
_publ_section_synopsis     .
