#\#CIF_1.1

#  CIF produced by WinGX routine CIF_UPDATE
#  Created on 2020-04-07 at 10:25:18
#  Using CIFtbx version 3.0.4  1 Sep 2006

#  Dictionary name : cif_core.dic
#  Dictionary vers : 2.4.5
#  Request file    : c:\wingx\files\archive.reqdat
#  CIF files read  : rj_wcodipyr_final_0m_a project

#------------------ SECTION 1. GLOBAL INFORMATION ---------------------------#

data_global

#------------------ AUDIT DETAILS -------------------------------------------#

_audit_creation_date            2020-04-07
_audit_creation_method          'WinGX routine CIF_UPDATE'
_audit_conform_dict_name        cif_core.dic
_audit_conform_dict_version     2.4.3
_audit_conform_dict_location    ftp://ftp.iucr.org/pub/cif_core.dic
_audit_update_record            ?

#------------------ AUTHOR DETAILS -------------------------------------------#

# Name and address of author for correspondence

_publ_contact_author_name       ' Chorazy, Szymon  '
_publ_contact_author_address
;
Gronostajowa 2, 30-387 Kraków, Poland
;
_publ_contact_author_email       ' simon.chorazy@uj.edu.pl '
_publ_contact_author_fax         ' '
_publ_contact_author_phone       ' '


# Insert blank lines between references

_publ_section_references
;
Blessing, R. H. (1995) Acta Cryst., A51, 33-38.

Blessing, R. H. (1987) Cryst. Rev. 1, 3-58.

Blessing, R. H. (1989) J. Appl. Cryst. 22, 396-397.

Bruker (2012) APEX2 (Version 2012.10-0), SAINT (version 8.27B), SADABS
(version 2012/1), BrukerAXS Inc, Madison, Wisconsin, USA.

ABSCOR: Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.

CAD-4 Software: Enraf-Nonius (1989). CAD-4 Software (or CAD-4 EXPRESS).
Enraf-Nonius, Delft, The Netherlands.

Cambridge Structural Database: Allen, F. R. (2002). Acta Cryst. B58, 380-388.

CAMERON: Watkin, D. J., Prout, C. K. & Pearce, L. J. (1996). CAMERON.
Chemical Crystallography Laboratory, Oxford, England.

CrysAlis CCD, CrysAlis RED and associated programs: Oxford Diffraction (2006).
Program name(s). Oxford Diffraction Ltd, Abingdon, England.

CRYSTALS: Betteridge, P. W., Carruthers, J. R., Cooper, R. I., Prout, K. &
Watkin, D. J. (2003). J. Appl. Cryst. 36, 1487.

COLLECT: Nonius (1998). COLLECT. Nonius BV, Delft, The Netherlands.

DENZO/SCALEPACK:  Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology,
Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr
& R. M. Sweet, pp. 307-326. New York: Academic Press.

DIAMOND: Brandenburg, K.(2006). DIAMOND. Crystal Impact GbR, Bonn, Germany.

DIF4 and REDU4: Stoe & Cie (1991). Program name(s). Stoe & Cie, Darmstadt,
Germany.

DIFABS: Walker, N. &  Stuart, D. (1983). Acta Cryst., A39, 158 - 166.

DIRAX: Duisenberg, A. J. M. (1992). J. Appl. Cryst. 25, 92-96.

DIRDIF-2008: Beurskens, P.T., Beurskens, G., de Gelder, R., Garciía-Granda,
S., Gould, R.O. & Smits, J.M.M. (2008) The DIRDIF-2008 program
system, Crystallography Laboratory, Radboud University  Nijmegen,
The Netherlands.

EDMA: Palatinus, L., Prathapa, S. J. & van Smaalen, S. (2012) J. Appl. Cryst.
45, 575-580.

enCIFer: Allen, F. H., Johnson, O., Shields, G. P., Smith, B. R. & Towler,
M. (2004). J. Appl. Cryst. 37, 335-338.

EVALCCD: Duisenberg, A. J. M., Kroon-Batenburg, L. M. J. & Schreurs,
A. M. M. (2003). J. Appl. Cryst. 36, 220-229.

JANA2000: Petricek, V. & Dusek, M. (2000). JANA2000. Institute of Physics,
Czech Academy of Sciences, Prague, Czech Republic.

MERCURY: Macrae, C. F., Bruno, I. J., Chisholm, J. A., Edgington,
P. R., McCabe, P., Pidcock, E., Rodriguez-Monge, L., Taylor, R.,
van de Streek, J. & Wood, P. A. (2008). J. Appl. Cryst. 41, 466-470.

MOGUL: Bruno, I. J., Cole, J. C., Kessler, M., Luo, J., Motherwell,
W. D. S., Purkis, L. H., Smith, B. R., Taylor, R., Cooper, R. I., Harris,
S. E. & Orpen, A. G. (2004). J. Chem. Inf. Comput. Sci. 44, 2133-2144.

ORTEPII: Johnson, C. K. (1976). ORTEPII. Report ORNL-5138. Oak Ridge
National Laboratory, Tennessee, USA.

ORTEPIII:  Burnett, M. N. & Johnson, C. K. (1996). ORTEPIII.
Report ORNL-6895. Oak Ridge National Laboratory, Tennessee, USA.

ORTEP-3: Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.

PARST: Nardelli, M. (1995). J. Appl. Cryst. 28, 659.

PLATON: Spek, A. L. (2009). Acta. Cryst. D65, 148-155.

PROCESS: Rigaku (1996). PROCESS. Rigaku Corporation, Tokyo, Japan.

PROCESS-AUTO: Rigaku (1998). PROCESS-AUTO. Rigaku Corporation, Tokyo, Japan.

PublCIF: Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.

SCHAKAL: Keller, E. (1999) University of Freiburg, Germany.

SHELX: Sheldrick, G. M. (2015). Acta Cryst. C71, 3-8.

SHELXD: Schneider, T. R. & Sheldrick, G. M. (2002) Acta Cryst. D58, 1772-1779.

SHELXT: Sheldrick, G. M. (2015). Acta Cryst. A71, 3-8.

SIR92: Altomare, A., Cascarano, G., Giacovazzo, C., Guagliardi, A., Burla,
M. C., Polidori, G. & Camalli, M. (1994). J. Appl. Cryst. 27, 435.

SIR97: Altomare, A., Burla, M. C., Camalli, M., Cascarano, G. L.,
Giacovazzo, C., Guagliardi, A., Moliterni, A. G. G., Polidori, G. &
Spagna, R. (1999). J. Appl. Cryst. 32, 115-119.

SIR2002: Burla, M. C., Camalli, M., Carrozzini, B., Cascarano, G. L.,
Giacovazzo, C., Polidori, G. & Spagna, R. (2003). J. Appl. Cryst. 36, 1103.

SIR2004: Burla, M. C., Caliandro, R., Camalli, M., Carrozzini, B.,
Cascarano, G. L., De Caro, L., Giacovazzo, C., Polidori, G. & Spagna, R.
(2005). J. Appl. Cryst. 38, 381-388.

SIR2008 & IL MILIONE: Burla, M. C., Caliandro, R., Camalli, M., Carrozzini, B.,
Cascarano, G. L., De Caro, L., Giacovazzo, C., Polidori, G., Siliqi, D.,
& Spagna, R. (2007). J. Appl. Cryst. 40, 609-613.

SIR2011: Burla, M. C., Caliandro, R., Camalli, M., Carrozzini, B.,
Cascarano, G. L., Giacovazzo, C., Mallamo, M., Mazzone, A., Polidori, G.
& Spagna, R. (2012). J. Appl. Cryst. 45, 357-361.

SUPERFLIP: Palatinus, L. & Chapuis, G. (2007) J. Appl. Cryst. 40, 786-790.

TEXSAN: Molecular Structure Corporation & Rigaku (2000). TEXSAN. MSC,
The Woodlands, Texas, USA, and Rigaku Corporation, Tokyo, Japan.

WinGX: Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.

X-AREA, X-RED, X-RED32, X-SHAPE:  Stoe & Cie (2002). Program name(s).
Stoe & Cie GmbH, Darmstadt, Germany.

XCAD4: Harms, K. & Wocadlo, S. (1995). XCAD4. University of Marburg, Germany.

XSCANS: Siemens (1994). XSCANS. Siemens Analytical X-ray Instruments Inc.,
Madison, Wisconsin, USA.

;

#------------------  SECTION 2. COMPOUND(S) DETAILS -------------------------#

data_shelx

_audit_creation_date                    2020-04-07T10:25:18-00:00
_audit_creation_method                  'WinGX routine CIF_UPDATE'
_audit_conform_dict_name                cif_core.dic
_audit_conform_dict_version             2.4.5
_audit_conform_dict_location            ftp://ftp.iucr.org/pub/cif_core.dic
_publ_requested_category                FM

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_formula_moiety                'C30  Co2  N20  O10  W1'
_chemical_formula_sum                   'C30 H34 Co2 N18 O8 W'
_chemical_formula_weight                1076.46

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting                  monoclinic
_symmetry_space_group_name_H-M          'C 2/c'
_symmetry_space_group_name_Hall         '-C 2yc'
_symmetry_Int_Tables_number             15
loop_
    _symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                          23.0143(13)
_cell_length_b                          12.8994(7)
_cell_length_c                          13.2566(7)
_cell_angle_alpha                       90
_cell_angle_beta                        106.340(2)
_cell_angle_gamma                       90
_cell_volume                            3776.5(4)
_cell_formula_units_Z                   4
_cell_measurement_temperature           100(2)
_cell_measurement_reflns_used           3325
_cell_measurement_theta_min             2.596
_cell_measurement_theta_max             25.023
_cell_measurement_wavelength            0.71073

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description        	plate 
_exptl_crystal_colour             	violet
_exptl_crystal_size_max                 0.45
_exptl_crystal_size_mid                 0.1
_exptl_crystal_size_min                 0.05
_exptl_crystal_density_diffrn           1.893
_exptl_crystal_density_method           'not measured'
_exptl_crystal_F_000                    2128

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu           3.982
_exptl_absorpt_correction_type          multi-scan
_shelx_estimated_absorpt_T_min          0.267
_shelx_estimated_absorpt_T_max          0.826
_exptl_absorpt_correction_T_min 		0.5585
_exptl_absorpt_correction_T_max			0.7456	
_exptl_absorpt_process_details    	'SADABS-2016/2 (Bruker,2016/2)'

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature             100(2)
_diffrn_radiation_wavelength            0.71073
_diffrn_radiation_type                  MoK\a
_diffrn_radiation_probe                 x-ray
_diffrn_radiation_monochromator         graphite
_diffrn_measurement_device_type   	'D8Quest Eco Photon50' 
_diffrn_measurement_method       	 ω 
_diffrn_standards_number                0
_diffrn_standards_interval_time         0
_diffrn_standards_interval_count        .
_diffrn_standards_decay_%               0
_diffrn_reflns_av_R_equivalents         0.0466
_diffrn_reflns_av_unetI/netI            0.0364
_diffrn_reflns_number                   15497
_diffrn_reflns_limit_h_min              -27
_diffrn_reflns_limit_h_max              27
_diffrn_reflns_limit_k_min              -15
_diffrn_reflns_limit_k_max              15
_diffrn_reflns_limit_l_min              -15
_diffrn_reflns_limit_l_max              15
_diffrn_reflns_theta_min                2.596
_diffrn_reflns_theta_max                25.023
_diffrn_reflns_theta_full               25.023
_diffrn_measured_fraction_theta_full
                                        0.995
_diffrn_measured_fraction_theta_max
                                        0.995
_diffrn_reflns_Laue_measured_fraction_full
                                        0.995
_diffrn_reflns_Laue_measured_fraction_max
                                        0.995
_diffrn_reflns_point_group_measured_fraction_full
                                        0.995
_diffrn_reflns_point_group_measured_fraction_max
                                        0.995
_reflns_Friedel_coverage                0
_reflns_number_total                    3325
_reflns_number_gt                       2984
_reflns_threshold_expression            'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_structure_solution           'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement         'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics           'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material
                                   'WinGX publication routines (Farrugia, 2012)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#

_atom_sites_solution_hydrogens          difmap

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_shelx_SHELXL_version_number            2018/3
_refine_ls_structure_factor_coef        Fsqd
_refine_ls_matrix_type                  full
_refine_ls_weighting_scheme             calc
_refine_ls_weighting_details
             'w=1/[σ²(Fo²)+(0.0443P)²+19.7456P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment           refxyz
_refine_ls_extinction_method            none
_refine_ls_number_reflns                3325
_refine_ls_number_parameters            318
_refine_ls_number_restraints            15
_refine_ls_number_constraints           0
_refine_ls_R_factor_all                 0.037
_refine_ls_R_factor_gt                  0.031
_refine_ls_wR_factor_ref                0.0801
_refine_ls_wR_factor_gt                 0.0773
_refine_ls_goodness_of_fit_ref          1.049
_refine_ls_restrained_S_all             1.049
_refine_ls_shift/su_max                 0
_refine_ls_shift/su_mean                0
_refine_diff_density_max                1.606
_refine_diff_density_min                -0.851
_refine_diff_density_rms                0.136

#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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'
Co Co 0.3494 0.9721 '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 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.849 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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_site_symmetry_order
    _atom_site_calc_flag
    _atom_site_refinement_flags_posn
    _atom_site_refinement_flags_adp
    _atom_site_refinement_flags_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
W1 W 0.5 0.31320(2) 0.75 0.01451(10) Uani 1 2 d S T P . .
Co1 Co 0.37373(3) 0.37495(5) 0.35159(5) 0.01909(17) Uani 1 1 d . . . . .
N1 N 0.41617(19) 0.3844(3) 0.5146(3) 0.0199(9) Uani 1 1 d D . . . .
N4 N 0.4289(2) 0.1079(3) 0.6215(4) 0.0249(10) Uani 1 1 d . . . . .
N2 N 0.57096(19) 0.5165(3) 0.6868(3) 0.0206(9) Uani 1 1 d . . . . .
C4 C 0.4543(2) 0.1788(4) 0.6654(4) 0.0201(10) Uani 1 1 d . . . . .
N9 N 0.3012(2) 0.4723(3) 0.3675(4) 0.0252(10) Uani 1 1 d . . . . .
N7 N 0.30520(19) 0.2736(3) 0.3658(3) 0.0196(9) Uani 1 1 d . . . . .
C2 C 0.5468(2) 0.4473(4) 0.7115(4) 0.0178(10) Uani 1 1 d . . . . .
N6 N 0.3721(2) 0.1452(3) 0.3613(4) 0.0246(10) Uani 1 1 d . . . . .
N5 N 0.4116(2) 0.2233(4) 0.3553(4) 0.0272(10) Uani 1 1 d . . . . .
N8 N 0.24973(19) 0.4192(3) 0.3671(3) 0.0221(9) Uani 1 1 d . . . . .
N3 N 0.5961(2) 0.2353(4) 0.6222(4) 0.0353(12) Uani 1 1 d D . . . .
C3 C 0.5621(2) 0.2627(4) 0.6663(4) 0.0220(11) Uani 1 1 d . . . . .
C12 C 0.2512(2) 0.3103(4) 0.3681(4) 0.0221(11) Uani 1 1 d . . . . .
C8 C 0.3142(2) 0.1720(4) 0.3683(4) 0.0220(11) Uani 1 1 d . . . . .
C15 C 0.2879(3) 0.5714(4) 0.3745(5) 0.0292(12) Uani 1 1 d . . . . .
C7 C 0.3978(3) 0.0502(5) 0.3592(5) 0.0340(14) Uani 1 1 d D . . . .
C11 C 0.2037(2) 0.2468(4) 0.3718(4) 0.0243(11) Uani 1 1 d . . . . .
C14 C 0.2276(3) 0.5836(5) 0.3773(5) 0.0339(13) Uani 1 1 d . . . . .
C6 C 0.4543(3) 0.0667(5) 0.3524(5) 0.0364(14) Uani 1 1 d D . . . .
C9 C 0.2698(3) 0.1009(4) 0.3739(4) 0.0267(12) Uani 1 1 d . . . . .
C13 C 0.2047(2) 0.4858(5) 0.3727(5) 0.0280(12) Uani 1 1 d D . . . .
C10 C 0.2140(3) 0.1410(5) 0.3748(5) 0.0286(12) Uani 1 1 d . . . . .
C5 C 0.4616(3) 0.1744(5) 0.3513(5) 0.0324(13) Uani 1 1 d D . . . .
C1 C 0.4441(2) 0.3613(4) 0.5975(4) 0.0165(10) Uani 1 1 d . . . . .
O1S O 0.70990(19) 0.1605(4) 0.6062(4) 0.0395(10) Uani 1 1 d D . . . .
O1 O 0.3332(2) 0.3612(4) 0.1861(3) 0.0421(11) Uani 1 1 d D . . . .
O2S O 0.3926(3) -0.1051(4) 0.5571(5) 0.0628(15) Uani 1 1 d D . . A 1
O3S O 0.5815(3) 0.3659(5) 0.4263(5) 0.0702(16) Uani 1 1 d D . . B 1
H14 H 0.416(4) -0.144(6) 0.517(7) 0.084 Uiso 1 1 d D U . C 1
H15 H 0.407(4) -0.033(3) 0.574(7) 0.084 Uiso 1 1 d D U . D 1
H10 H 0.591(4) 0.311(4) 0.480(3) 0.084 Uiso 1 1 d D U . E 1
H7 H 0.169(2) 0.458(7) 0.376(7) 0.084 Uiso 1 1 d D U . . .
H6 H 0.167(4) 0.275(7) 0.374(7) 0.084 Uiso 1 1 d . U . . .
H3 H 0.375(3) -0.006(4) 0.365(7) 0.084 Uiso 1 1 d D U . . .
H4 H 0.282(4) 0.024(7) 0.375(7) 0.084 Uiso 1 1 d . U . . .
H9 H 0.317(4) 0.626(7) 0.377(7) 0.084 Uiso 1 1 d . U . . .
H1 H 0.496(3) 0.216(6) 0.353(7) 0.084 Uiso 1 1 d D U . . .
H5 H 0.181(4) 0.095(7) 0.370(7) 0.084 Uiso 1 1 d . U . . .
H2 H 0.485(3) 0.022(5) 0.361(7) 0.084 Uiso 1 1 d D U . . .
H8 H 0.204(4) 0.653(7) 0.380(7) 0.084 Uiso 1 1 d . U . . .
H12 H 0.685(3) 0.137(7) 0.539(4) 0.084 Uiso 1 1 d D U . . .
H13 H 0.673(2) 0.177(7) 0.623(7) 0.084 Uiso 1 1 d D U . . .
H17 H 0.357(4) 0.352(7) 0.137(6) 0.084 Uiso 1 1 d D U . . .
H16 H 0.2911(13) 0.360(7) 0.151(6) 0.084 Uiso 1 1 d D U . . .
H11 H 0.5776(17) 0.432(2) 0.462(5) 0.084 Uiso 1 1 d D U . . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_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
W1 C3 2.142(5) 2_656 ?
W1 C3 2.142(5) . ?
W1 C1 2.160(5) 2_656 ?
W1 C1 2.160(5) . ?
W1 C4 2.169(5) 2_656 ?
W1 C4 2.169(5) . ?
W1 C2 2.173(5) . ?
W1 C2 2.173(5) 2_656 ?
Co1 N2 2.051(4) 5_666 ?
Co1 N7 2.098(4) . ?
Co1 N1 2.109(4) . ?
Co1 O1 2.136(4) . ?
Co1 N5 2.137(5) . ?
Co1 N9 2.147(4) . ?
N1 C1 1.146(6) . ?
N4 C4 1.151(7) . ?
N2 C2 1.147(6) . ?
N9 C15 1.323(7) . ?
N9 N8 1.366(6) . ?
N7 C8 1.326(7) . ?
N7 C12 1.339(7) . ?
N6 C7 1.365(7) . ?
N6 N5 1.375(6) . ?
N6 C8 1.403(7) . ?
N5 C5 1.324(7) . ?
N8 C13 1.363(7) . ?
N8 C12 1.406(7) . ?
N3 C3 1.157(7) . ?
C12 C11 1.378(7) . ?
C8 C9 1.391(7) . ?
C15 C14 1.409(8) . ?
C15 H9 0.97(9) . ?
C7 C6 1.347(9) . ?
C7 H3 0.90(2) . ?
C11 C10 1.384(8) . ?
C11 H6 0.93(9) . ?
C14 C13 1.362(8) . ?
C14 H8 1.05(9) . ?
C6 C5 1.399(9) . ?
C6 H2 0.90(2) . ?
C9 C10 1.389(8) . ?
C9 H4 1.03(9) . ?
C13 H7 0.90(2) . ?
C10 H5 0.96(9) . ?
C5 H1 0.96(2) . ?
O1S H12 0.96(2) . ?
O1S H13 0.96(2) . ?
O1 H17 0.96(2) . ?
O1 H16 0.95(2) . ?
O2S H14 0.99(2) . ?
O2S H15 0.99(2) . ?
O3S H10 0.987(17) . ?
O3S H11 0.99(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
C3 W1 C3 144.6(3) 2_656 . ?
C3 W1 C1 84.88(19) 2_656 2_656 ?
C3 W1 C1 105.30(19) . 2_656 ?
C3 W1 C1 105.30(19) 2_656 . ?
C3 W1 C1 84.88(19) . . ?
C1 W1 C1 146.6(2) 2_656 . ?
C3 W1 C4 77.64(18) 2_656 2_656 ?
C3 W1 C4 74.22(19) . 2_656 ?
C1 W1 C4 70.77(18) 2_656 2_656 ?
C1 W1 C4 142.01(18) . 2_656 ?
C3 W1 C4 74.22(19) 2_656 . ?
C3 W1 C4 77.64(19) . . ?
C1 W1 C4 142.01(18) 2_656 . ?
C1 W1 C4 70.77(18) . . ?
C4 W1 C4 73.9(3) 2_656 . ?
C3 W1 C2 144.16(18) 2_656 . ?
C3 W1 C2 70.95(17) . . ?
C1 W1 C2 77.72(18) 2_656 . ?
C1 W1 C2 75.86(18) . . ?
C4 W1 C2 123.87(18) 2_656 . ?
C4 W1 C2 135.63(18) . . ?
C3 W1 C2 70.94(17) 2_656 2_656 ?
C3 W1 C2 144.16(18) . 2_656 ?
C1 W1 C2 75.86(18) 2_656 2_656 ?
C1 W1 C2 77.72(18) . 2_656 ?
C4 W1 C2 135.63(18) 2_656 2_656 ?
C4 W1 C2 123.87(18) . 2_656 ?
C2 W1 C2 74.5(2) . 2_656 ?
N2 Co1 N7 169.41(17) 5_666 . ?
N2 Co1 N1 94.23(16) 5_666 . ?
N7 Co1 N1 94.99(16) . . ?
N2 Co1 O1 85.65(17) 5_666 . ?
N7 Co1 O1 85.32(16) . . ?
N1 Co1 O1 177.88(18) . . ?
N2 Co1 N5 110.66(17) 5_666 . ?
N7 Co1 N5 74.91(17) . . ?
N1 Co1 N5 87.76(17) . . ?
O1 Co1 N5 90.30(19) . . ?
N2 Co1 N9 100.32(17) 5_666 . ?
N7 Co1 N9 74.38(16) . . ?
N1 Co1 N9 90.82(17) . . ?
O1 Co1 N9 91.29(18) . . ?
N5 Co1 N9 149.00(17) . . ?
C1 N1 Co1 160.2(4) . . ?
C2 N2 Co1 170.7(4) . 5_666 ?
N4 C4 W1 178.4(4) . . ?
C15 N9 N8 105.5(4) . . ?
C15 N9 Co1 140.6(4) . . ?
N8 N9 Co1 113.8(3) . . ?
C8 N7 C12 119.3(4) . . ?
C8 N7 Co1 120.1(3) . . ?
C12 N7 Co1 120.5(3) . . ?
N2 C2 W1 177.0(4) . . ?
C7 N6 N5 111.0(4) . . ?
C7 N6 C8 130.3(5) . . ?
N5 N6 C8 118.7(4) . . ?
C5 N5 N6 104.5(5) . . ?
C5 N5 Co1 142.0(4) . . ?
N6 N5 Co1 113.5(3) . . ?
C13 N8 N9 110.8(4) . . ?
C13 N8 C12 130.2(5) . . ?
N9 N8 C12 118.9(4) . . ?
N3 C3 W1 179.2(5) . . ?
N7 C12 C11 122.8(5) . . ?
N7 C12 N8 111.9(4) . . ?
C11 C12 N8 125.3(5) . . ?
N7 C8 C9 122.7(5) . . ?
N7 C8 N6 112.8(4) . . ?
C9 C8 N6 124.5(5) . . ?
N9 C15 C14 111.0(5) . . ?
N9 C15 H9 122(5) . . ?
C14 C15 H9 127(5) . . ?
C6 C7 N6 107.0(5) . . ?
C6 C7 H3 136(6) . . ?
N6 C7 H3 117(6) . . ?
C12 C11 C10 117.1(5) . . ?
C12 C11 H6 120(6) . . ?
C10 C11 H6 123(6) . . ?
C13 C14 C15 105.5(5) . . ?
C13 C14 H8 127(5) . . ?
C15 C14 H8 128(5) . . ?
C7 C6 C5 106.1(5) . . ?
C7 C6 H2 129(6) . . ?
C5 C6 H2 124(6) . . ?
C10 C9 C8 116.8(5) . . ?
C10 C9 H4 127(5) . . ?
C8 C9 H4 116(5) . . ?
C14 C13 N8 107.2(5) . . ?
C14 C13 H7 135(6) . . ?
N8 C13 H7 118(6) . . ?
C11 C10 C9 121.3(5) . . ?
C11 C10 H5 119(6) . . ?
C9 C10 H5 120(6) . . ?
N5 C5 C6 111.5(5) . . ?
N5 C5 H1 117(6) . . ?
C6 C5 H1 131(6) . . ?
N1 C1 W1 176.9(4) . . ?
H12 O1S H13 86(7) . . ?
Co1 O1 H17 123(6) . . ?
Co1 O1 H16 127(6) . . ?
H17 O1 H16 111(8) . . ?
H14 O2S H15 114(8) . . ?
H10 O3S H11 108(3) . . ?


# END of CIF
