#\#CIF_1.1

#  CIF produced by WinGX routine CIF_UPDATE
#  Created on 2020-04-07 at 10:19:36
#  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  : sc_tc734_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                    2020-04-07T10:19:36-00:00
_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                'C50  Br1  Co2  N30  O2  W1'
_chemical_formula_sum                   'C30 H20 Br Co2 N18 O3 W'
_chemical_formula_weight                1062.26

#----------------------------------------------------------------------------#
#                   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                          22.9910(15)
_cell_length_b                          12.8877(8)
_cell_length_c                          13.3285(9)
_cell_angle_alpha                       90
_cell_angle_beta                        108.6080(10)
_cell_angle_gamma                       90
_cell_volume                            3742.8(4)
_cell_formula_units_Z                   4
_cell_measurement_temperature           100(2)
_cell_measurement_reflns_used           4298
_cell_measurement_theta_min             2.633
_cell_measurement_theta_max             27.485
_cell_measurement_wavelength            0.71073

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

_exptl_crystal_description        	block 
_exptl_crystal_colour             	red
_exptl_crystal_size_max                 0.28
_exptl_crystal_size_mid                 0.19
_exptl_crystal_size_min                 0.15
_exptl_crystal_density_diffrn           1.885
_exptl_crystal_density_method           'not measured'
_exptl_crystal_F_000                    2052

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

_exptl_absorpt_coefficient_mu           5.069
_exptl_absorpt_correction_type          multi-scan
_shelx_estimated_absorpt_T_min          0.331
_shelx_estimated_absorpt_T_max          0.517
_exptl_absorpt_correction_T_min 		0.5753
_exptl_absorpt_correction_T_max			0.7464
_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         0.0301
_diffrn_reflns_av_unetI/netI            0.0309
_diffrn_reflns_number                   13610
_diffrn_reflns_limit_h_min              -28
_diffrn_reflns_limit_h_max              29
_diffrn_reflns_limit_k_min              -15
_diffrn_reflns_limit_k_max              16
_diffrn_reflns_limit_l_min              -17
_diffrn_reflns_limit_l_max              17
_diffrn_reflns_theta_min                2.633
_diffrn_reflns_theta_max                27.485
_diffrn_reflns_theta_full               25.242
_diffrn_measured_fraction_theta_full
                                        0.999
_diffrn_measured_fraction_theta_max
                                        0.999
_diffrn_reflns_Laue_measured_fraction_full
                                        0.999
_diffrn_reflns_Laue_measured_fraction_max
                                        0.999
_diffrn_reflns_point_group_measured_fraction_full
                                        0.999
_diffrn_reflns_point_group_measured_fraction_max
                                        0.999
_reflns_Friedel_coverage                0
_reflns_number_total                    4298
_reflns_number_gt                       3898
_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)+(0.0197P)²+34.3370P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment           refxyz
_refine_ls_extinction_method            none
_refine_ls_number_reflns                4298
_refine_ls_number_parameters            318
_refine_ls_number_restraints            17
_refine_ls_number_constraints           0
_refine_ls_R_factor_all                 0.0369
_refine_ls_R_factor_gt                  0.0305
_refine_ls_wR_factor_ref                0.068
_refine_ls_wR_factor_gt                 0.0655
_refine_ls_goodness_of_fit_ref          1.056
_refine_ls_restrained_S_all             1.056
_refine_ls_shift/su_max                 0.014
_refine_ls_shift/su_mean                0
_refine_diff_density_max                2.186
_refine_diff_density_min                -1.951
_refine_diff_density_rms                0.129

#----------------------------------------------------------------------------#
#                   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'
Br Br -0.2901 2.4595 '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 0.32467(2) 0.75 0.01305(7) Uani 1 2 d S T P . .
Co1 Co 0.37128(2) 0.36423(4) 0.34031(4) 0.01681(12) Uani 1 1 d D . . . .
N1 N 0.41789(15) 0.3884(3) 0.5058(3) 0.0201(7) Uani 1 1 d . . . . .
N2 N 0.57423(15) 0.5270(3) 0.6978(3) 0.0200(7) Uani 1 1 d . . . . .
C2 C 0.54874(17) 0.4587(3) 0.7190(3) 0.0183(8) Uani 1 1 d . . . . .
N9 N 0.29739(16) 0.4538(3) 0.3584(3) 0.0215(7) Uani 1 1 d . . . . .
N7 N 0.30818(16) 0.2566(3) 0.3638(3) 0.0216(7) Uani 1 1 d . . . . .
N4 N 0.42807(16) 0.1210(3) 0.6167(3) 0.0243(8) Uani 1 1 d . . . . .
N8 N 0.24716(16) 0.3970(3) 0.3560(3) 0.0245(8) Uani 1 1 d . . . . .
C4 C 0.45404(17) 0.1907(3) 0.6633(3) 0.0169(8) Uani 1 1 d . . . . .
N6 N 0.38094(19) 0.1366(3) 0.3699(3) 0.0281(8) Uani 1 1 d . . . . .
C1 C 0.44543(17) 0.3709(3) 0.5920(3) 0.0158(7) Uani 1 1 d . . . . .
N5 N 0.41675(18) 0.2188(3) 0.3595(3) 0.0279(8) Uani 1 1 d . . . . .
C3 C 0.56320(19) 0.2721(3) 0.6710(3) 0.0230(9) Uani 1 1 d . . . . .
N3 N 0.5980(2) 0.2421(3) 0.6319(4) 0.0391(10) Uani 1 1 d . . . . .
C12 C 0.25407(19) 0.2883(3) 0.3642(3) 0.0221(9) Uani 1 1 d . . . . .
C8 C 0.3220(2) 0.1571(3) 0.3742(3) 0.0257(9) Uani 1 1 d . . . . .
C11 C 0.2084(2) 0.2221(4) 0.3744(4) 0.0327(11) Uani 1 1 d . . . . .
C13 C 0.2000(2) 0.4598(4) 0.3605(3) 0.0320(11) Uani 1 1 d . . . . .
C9 C 0.2810(3) 0.0828(4) 0.3869(3) 0.0328(11) Uani 1 1 d . . . . .
C15 C 0.2811(2) 0.5515(4) 0.3638(4) 0.0315(10) Uani 1 1 d . . . . .
C10 C 0.2241(3) 0.1175(4) 0.3860(4) 0.0377(12) Uani 1 1 d . . . . .
C14 C 0.2206(3) 0.5586(4) 0.3652(4) 0.0380(12) Uani 1 1 d . . . . .
C7 C 0.4121(3) 0.0451(4) 0.3781(4) 0.0428(14) Uani 1 1 d . . . . .
C5 C 0.4693(3) 0.1768(5) 0.3620(4) 0.0403(12) Uani 1 1 d . . . . .
C6 C 0.4687(3) 0.0686(5) 0.3728(4) 0.0481(15) Uani 1 1 d D . . . .
Br1 Br 0.31839(6) 0.33472(8) 0.13785(9) 0.0439(3) Uani 0.5 1 d . . P A 1
O1 O 0.3241(3) 0.3525(6) 0.1808(6) 0.0287(18) Uani 0.5 1 d D U P A 2
O1S O 0.2017(3) 0.3194(5) 0.0782(5) 0.0304(14) Uani 0.5 1 d . . P B 1
O2S O 0.1671(15) 0.276(3) -0.004(2) 0.120(9) Uani 0.25 1 d . U P C 2
O3S O 0.4100(12) 0.3559(19) 0.0692(15) 0.088(7) Uani 0.25 1 d . . P D 3
H1A H 0.357(3) 0.336(11) 0.152(9) 0.105 Uiso 0.5 1 d D U P E 2
H1B H 0.292(3) 0.307(6) 0.139(3) 0.105 Uiso 0.5 1 d D U P F 2
H5 H 0.5013(19) 0.227(3) 0.363(3) 0.007(10) Uiso 1 1 d . . . . .
H9 H 0.299(2) 0.014(4) 0.391(4) 0.027(13) Uiso 1 1 d . . . . .
H13 H 0.163(3) 0.428(5) 0.362(5) 0.048(17) Uiso 1 1 d . . . . .
H14 H 0.198(3) 0.624(5) 0.366(5) 0.057(18) Uiso 1 1 d . . . . .
H15 H 0.311(3) 0.606(5) 0.370(4) 0.041(15) Uiso 1 1 d . . . . .
H10 H 0.190(2) 0.063(4) 0.394(4) 0.042(15) Uiso 1 1 d . . . . .
H11 H 0.164(3) 0.248(5) 0.374(5) 0.057(18) Uiso 1 1 d . . . . .
H7 H 0.390(3) -0.015(5) 0.389(5) 0.06(2) Uiso 1 1 d . . . . .
H6 H 0.5068(19) 0.031(5) 0.377(5) 0.08(2) Uiso 1 1 d D . . . .



#----------------------------------------------------------------------------#
#                   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 C4 2.158(4) . ?
W1 C4 2.158(4) 2_656 ?
W1 C3 2.158(4) . ?
W1 C3 2.158(4) 2_656 ?
W1 C1 2.163(4) . ?
W1 C1 2.163(4) 2_656 ?
W1 C2 2.169(4) 2_656 ?
W1 C2 2.169(4) . ?
Co1 N2 2.049(3) 5_666 ?
Co1 O1 2.062(8) . ?
Co1 N7 2.101(3) . ?
Co1 N5 2.121(4) . ?
Co1 N9 2.130(4) . ?
Co1 N1 2.145(3) . ?
Co1 Br1 2.6098(12) . ?
N1 C1 1.144(5) . ?
N2 C2 1.142(5) . ?
N9 C15 1.322(6) . ?
N9 N8 1.359(5) . ?
N7 C12 1.311(6) . ?
N7 C8 1.317(5) . ?
N4 C4 1.145(5) . ?
N8 C13 1.370(6) . ?
N8 C12 1.409(6) . ?
N6 C7 1.365(6) . ?
N6 N5 1.376(6) . ?
N6 C8 1.400(6) . ?
N5 C5 1.314(6) . ?
C3 N3 1.151(6) . ?
C12 C11 1.393(6) . ?
C8 C9 1.391(6) . ?
C11 C10 1.392(8) . ?
C11 H11 1.07(6) . ?
C13 C14 1.353(8) . ?
C13 H13 0.95(6) . ?
C9 C10 1.379(8) . ?
C9 H9 0.97(5) . ?
C15 C14 1.401(7) . ?
C15 H15 0.97(6) . ?
C10 H10 1.09(6) . ?
C14 H14 1.00(7) . ?
C7 C6 1.360(9) . ?
C7 H7 0.96(7) . ?
C5 C6 1.403(9) . ?
C5 H5 0.98(4) . ?
C6 H6 0.99(2) . ?
O1 H1A 0.972(5) . ?
O1 H1B 0.963(5) . ?

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
C4 W1 C4 73.64(19) . 2_656 ?
C4 W1 C3 77.20(15) . . ?
C4 W1 C3 73.69(15) 2_656 . ?
C4 W1 C3 73.69(15) . 2_656 ?
C4 W1 C3 77.20(15) 2_656 2_656 ?
C3 W1 C3 143.4(2) . 2_656 ?
C4 W1 C1 70.50(14) . . ?
C4 W1 C1 140.76(14) 2_656 . ?
C3 W1 C1 83.26(15) . . ?
C3 W1 C1 106.86(15) 2_656 . ?
C4 W1 C1 140.76(14) . 2_656 ?
C4 W1 C1 70.50(14) 2_656 2_656 ?
C3 W1 C1 106.86(15) . 2_656 ?
C3 W1 C1 83.26(15) 2_656 2_656 ?
C1 W1 C1 148.0(2) . 2_656 ?
C4 W1 C2 123.02(14) . 2_656 ?
C4 W1 C2 136.87(14) 2_656 2_656 ?
C3 W1 C2 144.32(16) . 2_656 ?
C3 W1 C2 71.79(16) 2_656 2_656 ?
C1 W1 C2 78.00(14) . 2_656 ?
C1 W1 C2 76.68(14) 2_656 2_656 ?
C4 W1 C2 136.86(14) . . ?
C4 W1 C2 123.02(14) 2_656 . ?
C3 W1 C2 71.79(16) . . ?
C3 W1 C2 144.32(15) 2_656 . ?
C1 W1 C2 76.68(14) . . ?
C1 W1 C2 78.00(14) 2_656 . ?
C2 W1 C2 74.5(2) 2_656 . ?
N2 Co1 O1 87.5(2) 5_666 . ?
N2 Co1 N7 173.82(13) 5_666 . ?
O1 Co1 N7 86.8(2) . . ?
N2 Co1 N5 108.52(15) 5_666 . ?
O1 Co1 N5 97.8(2) . . ?
N7 Co1 N5 74.70(15) . . ?
N2 Co1 N9 103.30(14) 5_666 . ?
O1 Co1 N9 88.9(2) . . ?
N7 Co1 N9 74.17(14) . . ?
N5 Co1 N9 147.69(15) . . ?
N2 Co1 N1 90.63(13) 5_666 . ?
O1 Co1 N1 175.6(2) . . ?
N7 Co1 N1 94.87(13) . . ?
N5 Co1 N1 86.51(14) . . ?
N9 Co1 N1 87.69(13) . . ?
N2 Co1 Br1 87.91(9) 5_666 . ?
N7 Co1 Br1 86.66(9) . . ?
N5 Co1 Br1 92.57(10) . . ?
N9 Co1 Br1 94.07(10) . . ?
N1 Co1 Br1 177.94(10) . . ?
C1 N1 Co1 159.9(3) . . ?
C2 N2 Co1 172.5(3) . 5_666 ?
N2 C2 W1 176.5(3) . . ?
C15 N9 N8 105.1(4) . . ?
C15 N9 Co1 140.5(3) . . ?
N8 N9 Co1 114.1(3) . . ?
C12 N7 C8 120.0(4) . . ?
C12 N7 Co1 119.7(3) . . ?
C8 N7 Co1 120.2(3) . . ?
N9 N8 C13 111.1(4) . . ?
N9 N8 C12 117.4(3) . . ?
C13 N8 C12 130.9(4) . . ?
N4 C4 W1 178.0(3) . . ?
C7 N6 N5 110.9(5) . . ?
C7 N6 C8 130.6(5) . . ?
N5 N6 C8 118.5(4) . . ?
N1 C1 W1 174.8(3) . . ?
C5 N5 N6 104.8(4) . . ?
C5 N5 Co1 141.3(4) . . ?
N6 N5 Co1 113.9(3) . . ?
N3 C3 W1 177.6(4) . . ?
N7 C12 C11 123.7(4) . . ?
N7 C12 N8 113.1(4) . . ?
C11 C12 N8 123.1(4) . . ?
N7 C8 C9 122.3(5) . . ?
N7 C8 N6 112.6(4) . . ?
C9 C8 N6 125.2(4) . . ?
C10 C11 C12 115.3(5) . . ?
C10 C11 H11 121(3) . . ?
C12 C11 H11 124(3) . . ?
C14 C13 N8 106.7(4) . . ?
C14 C13 H13 135(4) . . ?
N8 C13 H13 118(4) . . ?
C10 C9 C8 116.9(5) . . ?
C10 C9 H9 133(3) . . ?
C8 C9 H9 110(3) . . ?
N9 C15 C14 111.3(5) . . ?
N9 C15 H15 119(3) . . ?
C14 C15 H15 129(3) . . ?
C9 C10 C11 121.8(5) . . ?
C9 C10 H10 120(3) . . ?
C11 C10 H10 118(3) . . ?
C13 C14 C15 105.8(5) . . ?
C13 C14 H14 128(4) . . ?
C15 C14 H14 126(4) . . ?
C6 C7 N6 106.9(5) . . ?
C6 C7 H7 138(4) . . ?
N6 C7 H7 115(4) . . ?
N5 C5 C6 111.9(6) . . ?
N5 C5 H5 114(2) . . ?
C6 C5 H5 134(2) . . ?
C7 C6 C5 105.5(5) . . ?
C7 C6 H6 137(4) . . ?
C5 C6 H6 117(4) . . ?
Co1 O1 H1A 102(7) . . ?
Co1 O1 H1B 134(2) . . ?
H1A O1 H1B 101.5(7) . . ?


# END of CIF
