# Supplementary Material (ESI) for Chemical Communications
# This journal is (c) The Royal Society of Chemistry 2008

data_global
_journal_name_full               Chem.Commun.
#===================================================================
_journal_coden_Cambridge         0182
# SUBMISSION DETAILS

_publ_contact_author_name        'Dr. Jun Tao'
_publ_contact_author_address     
;
Department of Chemistry
Xiamen University
Xiamen 361005
P. R. China
;
_publ_contact_author_email       taojun@xmu.edu.cn
_publ_contact_author_Phone       86-592-2185191
_publ_requested_category         ?
_publ_requested_coeditor_name    ?
_publ_contact_letter             
;
Please consider this CIF submission for publication as a Communnication
paper
in Chemical Communications
;

# TITLE AND AUTHOR LIST

_publ_section_title              
;
Side-effect of ancillary ligand on the electron transfer and
photodynamics
of dinuclear valence tautomeric complex
;

loop_
_publ_author_name
_publ_author_address

B.Li
;
Department of Chemistry
Xiamen University
Xiamen 361005
P. R. China
;
J.Tao
;
Department of Chemistry
Xiamen University
Xiamen 361005
P. R. China
;
H.-L.Sun
;
Institute for Materials Chemistry and Engineering
Kyushu University
Kasuga 816-8590 Fukuoka
Japan
;
O.Sato
;
Institute for Materials Chemistry and Engineering
Kyushu University
Kasuga 816-8590 Fukuoka
Japan
;
R.-B.Huang
;
Department of Chemistry
Xiamen University
Xiamen 361005
P. R. China
;
L.-S.Zheng
;
Department of Chemistry
Xiamen University
Xiamen 361005
P. R. China
;

#======================================================================

data_1
_database_code_depnum_ccdc_archive 'CCDC 675170'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C50 H42 Co2 F18 N8 O4 P3'
_chemical_formula_weight         1371.69

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Pccn

loop_
_symmetry_equiv_pos_as_xyz

'x, y, z'
'-x+1/2, -y+1/2, z'
'-x, y+1/2, -z+1/2'
'x+1/2, -y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'x, -y-1/2, z-1/2'
'-x-1/2, y, z-1/2'

_cell_length_a                   16.642(3)
_cell_length_b                   22.870(5)
_cell_length_c                   16.258(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     6188(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            'dark red'
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.16
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    1.472
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2764
_exptl_absorpt_coefficient_mu    0.715
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.828
_exptl_absorpt_correction_T_max  0.892
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID imaging plate'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            6078
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.2061
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         3.03
_diffrn_reflns_theta_max         26.00
_reflns_number_total             6078
_reflns_number_gt                2297
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'PROCESS-AUTO (Rigaku Corporation,1998)'
_computing_cell_refinement       PROCESS-AUTO
_computing_data_reduction        
'teXsan (Molecular Structure Corporation & Rigaku Corporation, 1999)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'ORTEP-II (Johnson, 1976)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR
and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc.
and is
not relevant to the choice of reflections for refinement. R-factors
based
on F^2^ are statistically about twice as large as those based on F,
and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0390P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6078
_refine_ls_number_parameters     389
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1589
_refine_ls_R_factor_gt           0.0776
_refine_ls_wR_factor_ref         0.1681
_refine_ls_wR_factor_gt          0.1538
_refine_ls_goodness_of_fit_ref   0.918
_refine_ls_restrained_S_all      0.918
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.15732(5) 0.45311(4) 0.15238(5) 0.0380(3) Uani 1 1 d . . .
N1 N 0.0693(3) 0.4326(2) 0.2277(3) 0.0393(14) Uani 1 1 d . . .
N2 N 0.2215(3) 0.4853(2) 0.2418(3) 0.0361(13) Uani 1 1 d . . .
N3 N 0.2519(4) 0.4591(2) 0.0811(3) 0.0489(15) Uani 1 1 d . . .
N4 N 0.2009(4) 0.3768(2) 0.1833(4) 0.0482(16) Uani 1 1 d . . .
C1 C 0.1276(5) 0.3402(3) 0.2009(5) 0.061(2) Uani 1 1 d . . .
H1A H 0.1061 0.3253 0.1496 0.073 Uiso 1 1 calc R . .
H1B H 0.1428 0.3071 0.2348 0.073 Uiso 1 1 calc R . .
C2 C 0.0637(4) 0.3753(3) 0.2444(5) 0.051(2) Uani 1 1 d . . .
C3 C 0.0079(6) 0.3520(5) 0.2922(5) 0.079(3) Uani 1 1 d . . .
H3A H 0.0066 0.3122 0.3040 0.095 Uiso 1 1 calc R . .
C4 C -0.0526(6) 0.3932(6) 0.3259(6) 0.089(3) Uani 1 1 d . . .
H4A H -0.0938 0.3792 0.3592 0.106 Uiso 1 1 calc R . .
C5 C -0.0483(5) 0.4513(5) 0.3081(5) 0.077(3) Uani 1 1 d . . .
H5A H -0.0863 0.4776 0.3279 0.093 Uiso 1 1 calc R . .
C6 C 0.0175(4) 0.4702(4) 0.2578(4) 0.047(2) Uani 1 1 d . . .
H6A H 0.0236 0.5098 0.2462 0.057 Uiso 1 1 calc R . .
C7 C 0.2496(4) 0.3835(3) 0.2614(4) 0.0489(19) Uani 1 1 d . . .
H7A H 0.2213 0.3650 0.3066 0.059 Uiso 1 1 calc R . .
H7B H 0.3008 0.3637 0.2548 0.059 Uiso 1 1 calc R . .
C8 C 0.2641(4) 0.4454(3) 0.2816(4) 0.0361(16) Uani 1 1 d . . .
C9 C 0.3175(4) 0.4613(3) 0.3429(4) 0.0430(17) Uani 1 1 d . . .
H9A H 0.3476 0.4330 0.3702 0.052 Uiso 1 1 calc R . .
C10 C 0.3254(4) 0.5199(3) 0.3629(4) 0.0468(19) Uani 1 1 d . . .
H10A H 0.3619 0.5319 0.4028 0.056 Uiso 1 1 calc R . .
C11 C 0.2770(4) 0.5608(3) 0.3216(4) 0.0442(18) Uani 1 1 d . . .
H11A H 0.2800 0.6003 0.3347 0.053 Uiso 1 1 calc R . .
C12 C 0.2252(4) 0.5415(3) 0.2613(4) 0.0425(17) Uani 1 1 d . . .
H12A H 0.1924 0.5682 0.2341 0.051 Uiso 1 1 calc R . .
C13 C 0.2464(6) 0.3565(3) 0.1135(5) 0.070(3) Uani 1 1 d . . .
H13A H 0.2109 0.3364 0.0755 0.084 Uiso 1 1 calc R . .
H13B H 0.2869 0.3288 0.1318 0.084 Uiso 1 1 calc R . .
C14 C 0.2860(5) 0.4061(4) 0.0709(5) 0.053(2) Uani 1 1 d . . .
C15 C 0.3549(6) 0.3987(4) 0.0209(5) 0.073(3) Uani 1 1 d . . .
H15A H 0.3770 0.3616 0.0147 0.088 Uiso 1 1 calc R . .
C16 C 0.3886(5) 0.4442(5) -0.0176(5) 0.077(3) Uani 1 1 d . . .
H16A H 0.4338 0.4382 -0.0503 0.092 Uiso 1 1 calc R . .
C17 C 0.3580(5) 0.4992(5) -0.0097(5) 0.072(3) Uani 1 1 d . . .
C18 C 0.3903(6) 0.5473(6) -0.0434(6) 0.093(3) Uani 1 1 d . . .
H18A H 0.4358 0.5433 -0.0762 0.112 Uiso 1 1 calc R . .
C19 C 0.3593(7) 0.6019(6) -0.0317(6) 0.110(4) Uani 1 1 d . . .
H19A H 0.3832 0.6340 -0.0569 0.131 Uiso 1 1 calc R . .
C20 C 0.2910(6) 0.6097(4) 0.0187(5) 0.080(3) Uani 1 1 d . . .
H20A H 0.2697 0.6469 0.0268 0.096 Uiso 1 1 calc R . .
C21 C 0.2563(5) 0.5622(3) 0.0556(5) 0.058(2) Uani 1 1 d . . .
H21A H 0.2126 0.5680 0.0902 0.069 Uiso 1 1 calc R . .
C22 C 0.2834(4) 0.5065(4) 0.0434(4) 0.050(2) Uani 1 1 d . . .
O1 O 0.0995(3) 0.41845(18) 0.0637(3) 0.0429(12) Uani 1 1 d . . .
O2 O 0.1037(2) 0.52346(16) 0.1237(2) 0.0344(10) Uani 1 1 d . . .
C23 C 0.0514(4) 0.4555(3) 0.0289(4) 0.0314(14) Uani 1 1 d . . .
C24 C 0.0520(4) 0.5150(3) 0.0637(3) 0.0263(14) Uani 1 1 d . . .
C25 C 0.0018(4) 0.5578(2) 0.0349(3) 0.0289(14) Uani 1 1 d . . .
H25A H 0.0030 0.5952 0.0575 0.035 Uiso 1 1 calc R . .
P1 P 0.00848(16) 0.33768(11) 0.72255(15) 0.0690(7) Uani 1 1 d . . .
F1 F -0.0026(4) 0.3341(4) 0.6290(4) 0.163(3) Uani 1 1 d . . .
F2 F -0.0376(4) 0.2840(2) 0.7375(8) 0.221(5) Uani 1 1 d . . .
F3 F 0.0616(4) 0.3955(2) 0.6981(5) 0.133(2) Uani 1 1 d . . .
F4 F 0.0347(4) 0.3524(3) 0.8076(4) 0.144(3) Uani 1 1 d . . .
F5 F 0.0843(3) 0.2996(2) 0.7083(4) 0.110(2) Uani 1 1 d . . .
F6 F -0.0690(3) 0.3788(2) 0.7292(4) 0.126(2) Uani 1 1 d . . .
P2 P 0.2500 0.2500 0.4107(2) 0.130(2) Uani 1 2 d S . .
F7 F 0.1991(5) 0.2512(4) 0.5054(5) 0.078(3) Uani 0.50 1 d P . .
F8 F 0.1688(5) 0.2884(2) 0.4073(5) 0.184(4) Uani 1 1 d . . .
F9 F 0.2002(5) 0.19118(19) 0.4125(3) 0.156(3) Uani 1 1 d . . .
F10 F 0.2500 0.2500 0.3138(3) 0.0572(16) Uani 1 2 d S . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11

_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Co1 0.0530(5) 0.0334(4) 0.0275(4) -0.0035(5) -0.0118(5) 0.0063(5)
N1 0.038(3) 0.046(3) 0.034(3) -0.001(3) -0.017(3) -0.004(3)
N2 0.049(3) 0.033(3) 0.026(3) -0.005(3) -0.007(3) 0.004(3)
N3 0.063(4) 0.040(3) 0.044(4) -0.014(3) -0.018(3) 0.004(4)
N4 0.069(4) 0.034(3) 0.041(4) 0.001(3) -0.021(3) 0.011(3)
C1 0.094(6) 0.033(4) 0.055(5) 0.014(4) -0.047(5) -0.020(5)
C2 0.045(5) 0.051(5) 0.056(5) 0.005(4) -0.014(4) -0.005(4)
C3 0.076(7) 0.111(8) 0.051(6) 0.023(6) -0.006(5) -0.057(6)
C4 0.062(6) 0.149(10) 0.055(6) 0.022(7) -0.012(5) -0.057(7)
C5 0.064(6) 0.131(8) 0.038(5) -0.007(6) -0.010(4) -0.030(7)
C6 0.048(5) 0.081(6) 0.014(3) -0.007(4) -0.006(3) 0.003(5)
C7 0.058(5) 0.043(4) 0.046(5) 0.003(4) -0.014(4) 0.001(4)
C8 0.043(4) 0.042(4) 0.023(3) -0.003(3) -0.008(3) 0.012(4)
C9 0.061(5) 0.043(4) 0.026(3) 0.006(4) 0.007(4) 0.009(4)
C10 0.066(5) 0.061(4) 0.014(4) -0.005(3) 0.001(3) -0.008(4)
C11 0.070(5) 0.034(4) 0.028(4) -0.004(3) 0.003(4) 0.008(4)
C12 0.060(5) 0.046(4) 0.021(3) -0.003(4) 0.002(3) 0.004(4)
C13 0.093(6) 0.062(5) 0.056(5) -0.016(5) -0.018(5) 0.047(5)
C14 0.047(5) 0.077(6) 0.035(5) -0.015(4) -0.010(4) 0.010(5)
C15 0.079(7) 0.091(7) 0.049(6) -0.024(5) -0.014(5) 0.026(6)
C16 0.064(6) 0.117(9) 0.050(6) -0.028(6) -0.002(5) 0.021(7)
C17 0.073(7) 0.120(8) 0.023(4) -0.006(5) 0.002(4) -0.032(7)
C18 0.087(7) 0.138(10) 0.055(6) -0.019(8) 0.008(6) -0.054(9)
C19 0.132(11) 0.148(11) 0.050(6) -0.009(8) 0.010(7) -0.078(10)
C20 0.112(8) 0.074(6) 0.055(6) -0.008(5) 0.000(6) -0.024(6)
C21 0.069(6) 0.060(5) 0.043(5) 0.007(4) -0.003(4) -0.015(5)
C22 0.054(5) 0.079(6) 0.018(4) -0.019(4) -0.010(4) -0.009(5)
O1 0.050(3) 0.035(2) 0.044(3) -0.014(2) -0.024(3) 0.000(2)
O2 0.044(2) 0.032(2) 0.027(2) -0.0054(19) -0.015(2) 0.008(2)
C23 0.034(4) 0.030(3) 0.030(4) -0.001(3) 0.001(3) 0.002(3)
C24 0.033(4) 0.033(3) 0.012(3) -0.003(3) 0.002(3) -0.003(3)
C25 0.044(4) 0.022(3) 0.021(3) -0.005(3) 0.001(3) -0.005(3)
P1 0.0841(18) 0.0609(14) 0.0619(16) -0.0157(13) -0.0049(15) 0.0190(15)
F1 0.158(6) 0.241(8) 0.090(5) -0.010(5) 0.003(5) 0.055(6)
F2 0.121(5) 0.061(3) 0.482(16) -0.014(6) 0.119(8) -0.023(4)
F3 0.138(5) 0.079(4) 0.181(7) -0.002(4) 0.038(5) 0.022(4)
F4 0.155(6) 0.195(7) 0.083(4) -0.059(5) -0.018(4) 0.031(5)
F5 0.087(4) 0.075(3) 0.167(6) -0.035(4) -0.013(4) 0.029(3)
F6 0.120(4) 0.097(4) 0.162(6) -0.039(4) 0.015(5) 0.042(4)
P2 0.319(7) 0.0377(16) 0.0323(19) 0.000 0.000 0.037(4)
F7 0.148(8) 0.037(4) 0.049(5) -0.010(5) -0.005(5) 0.013(7)
F8 0.307(10) 0.056(3) 0.187(7) 0.008(4) 0.189(7) 0.027(5)
F9 0.353(10) 0.041(3) 0.073(4) 0.007(3) 0.099(5) 0.014(4)
F10 0.078(4) 0.050(3) 0.043(3) 0.000 0.000 0.009(3)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are
taken
into account individually in the estimation of esds in distances,
angles
and torsion angles; correlations between esds in cell parameters are
only
used when they are defined by crystal symmetry. An approximate
(isotropic)
treatment of cell esds is used for estimating esds involving l.s.
planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 O2 1.898(4) . ?
Co1 O1 1.906(4) . ?
Co1 N2 1.948(5) . ?
Co1 N4 1.956(5) . ?
Co1 N3 1.959(7) . ?
Co1 N1 1.966(6) . ?
N1 C6 1.313(8) . ?
N1 C2 1.342(8) . ?
N2 C12 1.326(7) . ?
N2 C8 1.325(7) . ?
N3 C14 1.349(8) . ?
N3 C22 1.351(9) . ?
N4 C13 1.442(9) . ?
N4 C1 1.506(8) . ?
N4 C7 1.515(8) . ?
C1 C2 1.508(10) . ?
C2 C3 1.323(10) . ?
C3 C4 1.483(13) . ?
C4 C5 1.361(13) . ?
C5 C6 1.434(10) . ?
C7 C8 1.473(8) . ?
C8 C9 1.384(8) . ?
C9 C10 1.386(9) . ?
C10 C11 1.405(8) . ?
C11 C12 1.378(8) . ?
C13 C14 1.484(10) . ?
C14 C15 1.416(10) . ?
C15 C16 1.339(12) . ?
C16 C17 1.362(12) . ?
C17 C18 1.342(12) . ?
C17 C22 1.523(11) . ?
C18 C19 1.364(14) . ?
C19 C20 1.413(12) . ?
C20 C21 1.370(10) . ?
C21 C22 1.365(10) . ?
O1 C23 1.296(7) . ?
O2 C24 1.315(6) . ?
C23 C25 1.397(8) 5_565 ?
C23 C24 1.472(8) . ?
C24 C25 1.372(8) . ?
C25 C23 1.397(8) 5_565 ?
P1 F2 1.468(6) . ?
P1 F4 1.488(6) . ?
P1 F1 1.535(7) . ?
P1 F5 1.551(5) . ?
P1 F6 1.599(5) . ?
P1 F3 1.639(6) . ?
P2 F10 1.576(6) . ?
P2 F9 1.581(6) . ?
P2 F9 1.581(6) 2 ?
P2 F8 1.613(8) . ?
P2 F8 1.613(8) 2 ?
P2 F7 1.757(9) . ?
P2 F7 1.757(9) 2 ?
F7 F7 1.695(18) 2 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2

_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Co1 O1 85.95(18) . . ?
O2 Co1 N2 96.93(18) . . ?
O1 Co1 N2 176.6(2) . . ?
O2 Co1 N4 173.7(2) . . ?
O1 Co1 N4 90.6(2) . . ?
N2 Co1 N4 86.7(2) . . ?
O2 Co1 N3 100.0(2) . . ?
O1 Co1 N3 89.3(2) . . ?
N2 Co1 N3 88.5(2) . . ?
N4 Co1 N3 85.2(3) . . ?
O2 Co1 N1 90.3(2) . . ?
O1 Co1 N1 89.7(2) . . ?
N2 Co1 N1 92.0(2) . . ?
N4 Co1 N1 84.4(2) . . ?
N3 Co1 N1 169.6(2) . . ?
C6 N1 C2 121.3(7) . . ?
C6 N1 Co1 124.4(5) . . ?
C2 N1 Co1 114.3(5) . . ?
C12 N2 C8 121.8(6) . . ?
C12 N2 Co1 124.8(4) . . ?
C8 N2 Co1 113.4(4) . . ?
C14 N3 C22 120.1(7) . . ?
C14 N3 Co1 110.3(5) . . ?
C22 N3 Co1 129.6(5) . . ?
C13 N4 C1 113.3(6) . . ?
C13 N4 C7 114.2(6) . . ?
C1 N4 C7 109.3(5) . . ?
C13 N4 Co1 106.3(4) . . ?
C1 N4 Co1 104.1(4) . . ?
C7 N4 Co1 108.9(4) . . ?
C2 C1 N4 111.4(6) . . ?
C3 C2 N1 124.1(8) . . ?
C3 C2 C1 123.9(8) . . ?
N1 C2 C1 112.0(7) . . ?
C2 C3 C4 116.0(9) . . ?
C5 C4 C3 120.4(9) . . ?
C4 C5 C6 117.2(10) . . ?
N1 C6 C5 121.1(8) . . ?
C8 C7 N4 111.8(5) . . ?
N2 C8 C9 120.9(6) . . ?
N2 C8 C7 117.8(6) . . ?
C9 C8 C7 121.2(6) . . ?
C8 C9 C10 119.0(6) . . ?
C9 C10 C11 118.5(6) . . ?
C12 C11 C10 119.1(6) . . ?
N2 C12 C11 120.6(6) . . ?
N4 C13 C14 110.7(6) . . ?
N3 C14 C15 121.3(8) . . ?
N3 C14 C13 116.3(7) . . ?
C15 C14 C13 122.4(8) . . ?
C16 C15 C14 121.0(9) . . ?
C15 C16 C17 121.2(9) . . ?
C18 C17 C16 124.7(11) . . ?
C18 C17 C22 117.9(10) . . ?
C16 C17 C22 117.4(9) . . ?
C17 C18 C19 122.8(11) . . ?
C18 C19 C20 120.1(11) . . ?
C21 C20 C19 119.5(10) . . ?
C22 C21 C20 122.5(8) . . ?
N3 C22 C21 123.6(7) . . ?
N3 C22 C17 119.1(8) . . ?
C21 C22 C17 117.0(8) . . ?
C23 O1 Co1 111.7(4) . . ?
C24 O2 Co1 111.3(3) . . ?
O1 C23 C25 124.8(6) . 5_565 ?
O1 C23 C24 115.6(5) . . ?
C25 C23 C24 119.5(6) 5_565 . ?
O2 C24 C25 123.1(5) . . ?
O2 C24 C23 115.2(5) . . ?
C25 C24 C23 121.7(5) . . ?
C24 C25 C23 118.9(5) . 5_565 ?
F2 P1 F4 100.9(6) . . ?
F2 P1 F1 93.3(6) . . ?
F4 P1 F1 165.4(5) . . ?
F2 P1 F5 88.8(3) . . ?
F4 P1 F5 91.6(4) . . ?
F1 P1 F5 85.4(4) . . ?
F2 P1 F6 93.4(3) . . ?
F4 P1 F6 92.3(4) . . ?
F1 P1 F6 90.1(4) . . ?
F5 P1 F6 175.1(4) . . ?
F2 P1 F3 175.2(5) . . ?
F4 P1 F3 83.3(4) . . ?
F1 P1 F3 82.4(4) . . ?
F5 P1 F3 88.8(3) . . ?
F6 P1 F3 88.7(3) . . ?
F10 P2 F9 91.0(2) . . ?
F10 P2 F9 91.0(2) . 2 ?
F9 P2 F9 178.0(5) . 2 ?
F10 P2 F8 88.0(3) . . ?
F9 P2 F8 91.3(3) . . ?
F9 P2 F8 88.7(3) 2 . ?
F10 P2 F8 88.0(3) . 2 ?
F9 P2 F8 88.7(3) . 2 ?
F9 P2 F8 91.3(3) 2 2 ?
F8 P2 F8 176.0(6) . 2 ?
F10 P2 F7 151.2(3) . . ?
F9 P2 F7 75.2(3) . . ?
F9 P2 F7 103.0(4) 2 . ?
F8 P2 F7 67.5(4) . . ?
F8 P2 F7 116.3(4) 2 . ?
F10 P2 F7 151.2(3) . 2 ?
F9 P2 F7 103.0(4) . 2 ?
F9 P2 F7 75.2(3) 2 2 ?
F8 P2 F7 116.3(4) . 2 ?
F8 P2 F7 67.5(4) 2 2 ?
F7 P2 F7 57.7(6) . 2 ?
F7 F7 P2 61.2(3) 2 . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.781
_refine_diff_density_min         -0.658
_refine_diff_density_rms         0.090