# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2017

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1479883'
_audit_update_record             
;
2016-05-16 deposited with the CCDC.
2017-02-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 'none'
;
_chemical_name_common            none
_chemical_melting_point          'not measured'
_chemical_formula_moiety         'C24 H56 Co N2 P4 Te4'
_chemical_formula_sum            'C24 H56 Co N2 P4 Te4'
_chemical_formula_weight         1065.91

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'
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'
Te Te -0.5308 1.6751 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.9483(4)
_cell_length_b                   13.4578(5)
_cell_length_c                   16.0323(7)
_cell_angle_alpha                95.538(3)
_cell_angle_beta                 104.577(4)
_cell_angle_gamma                110.282(4)
_cell_volume                     1908.19(14)
_cell_formula_units_Z            2
_cell_measurement_temperature    180(2)
_cell_measurement_reflns_used    8708
_cell_measurement_theta_min      2.9950
_cell_measurement_theta_max      28.3060

_exptl_crystal_description       block
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    none
_exptl_crystal_density_diffrn    1.855
_exptl_crystal_F_000             1018
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.2828
_exptl_crystal_size_mid          0.1498
_exptl_crystal_size_min          0.0658
_exptl_absorpt_coefficient_mu    3.631
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_correction_T_min  0.499
_exptl_absorpt_correction_T_max  0.825
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
 'none'
;

_diffrn_ambient_temperature      180(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3914
_diffrn_reflns_number            35384
_diffrn_reflns_av_unetI/netI     0.0587
_diffrn_reflns_av_R_equivalents  0.0486
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.988
_diffrn_reflns_theta_max         30.327
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.894
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.894
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.894
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             10255
_reflns_number_gt                7130
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0164P)²]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10255
_refine_ls_number_parameters     316
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0707
_refine_ls_R_factor_gt           0.0359
_refine_ls_wR_factor_ref         0.0647
_refine_ls_wR_factor_gt          0.0526
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_restrained_S_all      1.071
_refine_ls_shift/su_max          0.001
_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_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
Te1 Te 0.51116(3) 0.20863(2) 0.12096(2) 0.03408(7) Uani 1 1 d . . . . .
Te2 Te 0.52645(3) 0.34740(2) 0.37903(2) 0.03408(7) Uani 1 1 d . . . . .
Te3 Te 0.45708(3) 0.01565(2) 0.30641(2) 0.03317(8) Uani 1 1 d . . . . .
Te4 Te 0.11955(3) 0.13958(2) 0.21136(2) 0.03198(7) Uani 1 1 d . . . . .
Co1 Co 0.40373(6) 0.17760(4) 0.25282(3) 0.02671(12) Uani 1 1 d . . . . .
P2 P -0.00182(11) -0.05540(8) 0.19076(6) 0.0225(2) Uani 1 1 d . . . . .
P1 P 0.22544(11) -0.09745(8) 0.32962(6) 0.0232(2) Uani 1 1 d . . . . .
P3 P 0.73986(12) 0.36803(8) 0.18438(7) 0.0266(2) Uani 1 1 d . . . . .
P4 P 0.64485(11) 0.48963(8) 0.30877(6) 0.0240(2) Uani 1 1 d . . . . .
N1 N 0.0699(3) -0.1142(2) 0.26046(19) 0.0245(7) Uani 1 1 d . . . . .
N2 N 0.7350(3) 0.4669(2) 0.2453(2) 0.0274(7) Uani 1 1 d . . . . .
C1 C -0.1932(4) -0.0845(3) 0.1959(3) 0.0300(9) Uani 1 1 d . . . . .
H1B H -0.2480 -0.1648 0.1793 0.036 Uiso 1 1 calc R U . . .
C2 C -0.0221(4) -0.1152(3) 0.0787(2) 0.0303(9) Uani 1 1 d . . . . .
H2B H -0.0727 -0.0780 0.0381 0.036 Uiso 1 1 calc R U . . .
C3 C 0.2351(4) -0.0483(3) 0.4422(2) 0.0290(9) Uani 1 1 d . . . . .
H3A H 0.3351 -0.0411 0.4812 0.035 Uiso 1 1 calc R U . . .
C4 C 0.2295(5) -0.2331(3) 0.3273(3) 0.0311(9) Uani 1 1 d . . . . .
H4A H 0.1364 -0.2795 0.3395 0.037 Uiso 1 1 calc R U . . .
C5 C 0.7813(4) 0.6027(3) 0.3963(3) 0.0313(9) Uani 1 1 d . . . . .
H5A H 0.8308 0.6615 0.3673 0.038 Uiso 1 1 calc R U . . .
C6 C 0.3770(5) 0.4526(4) 0.1790(3) 0.0399(11) Uani 1 1 d . . . . .
H6A H 0.3034 0.4819 0.1512 0.060 Uiso 1 1 calc R U . . .
H6B H 0.3275 0.3902 0.2026 0.060 Uiso 1 1 calc R U . . .
H6C H 0.4192 0.4298 0.1351 0.060 Uiso 1 1 calc R U . . .
C7 C 0.5029(4) 0.5393(3) 0.2534(3) 0.0317(9) Uani 1 1 d . . . . .
H7A H 0.4566 0.5582 0.2980 0.038 Uiso 1 1 calc R U . . .
C8 C 0.8891(4) 0.3250(3) 0.2400(3) 0.0337(10) Uani 1 1 d . . . . .
H8A H 0.8933 0.2692 0.1958 0.040 Uiso 1 1 calc R U . . .
C9 C 0.1302(5) -0.0950(4) 0.0648(3) 0.0386(11) Uani 1 1 d . . . . .
H9A H 0.1154 -0.1278 0.0042 0.058 Uiso 1 1 calc R U . . .
H9B H 0.1853 -0.1272 0.1058 0.058 Uiso 1 1 calc R U . . .
H9C H 0.1879 -0.0169 0.0755 0.058 Uiso 1 1 calc R U . . .
C10 C 0.8544(5) 0.2717(3) 0.3155(3) 0.0391(11) Uani 1 1 d . . . . .
H10A H 0.9358 0.2492 0.3431 0.059 Uiso 1 1 calc R U . . .
H10B H 0.7595 0.2083 0.2930 0.059 Uiso 1 1 calc R U . . .
H10C H 0.8454 0.3233 0.3591 0.059 Uiso 1 1 calc R U . . .
C11 C 0.2294(5) 0.0636(3) 0.4538(3) 0.0399(11) Uani 1 1 d . . . . .
H11A H 0.2356 0.0873 0.5149 0.060 Uiso 1 1 calc R U . . .
H11B H 0.1347 0.0607 0.4143 0.060 Uiso 1 1 calc R U . . .
H11C H 0.3142 0.1147 0.4397 0.060 Uiso 1 1 calc R U . . .
C12 C -0.1913(5) -0.0497(4) 0.2895(3) 0.0406(11) Uani 1 1 d . . . . .
H12A H -0.2946 -0.0663 0.2909 0.061 Uiso 1 1 calc R U . . .
H12B H -0.1329 0.0282 0.3096 0.061 Uiso 1 1 calc R U . . .
H12C H -0.1452 -0.0888 0.3283 0.061 Uiso 1 1 calc R U . . .
C13 C 0.1154(5) -0.1280(4) 0.4730(3) 0.0435(11) Uani 1 1 d . . . . .
H13A H 0.1248 -0.0984 0.5334 0.065 Uiso 1 1 calc R U . . .
H13B H 0.1293 -0.1968 0.4711 0.065 Uiso 1 1 calc R U . . .
H13C H 0.0153 -0.1402 0.4342 0.065 Uiso 1 1 calc R U . . .
C14 C -0.2815(4) -0.0364(4) 0.1311(3) 0.0422(11) Uani 1 1 d . . . . .
H14A H -0.3827 -0.0552 0.1368 0.063 Uiso 1 1 calc R U . . .
H14B H -0.2891 -0.0655 0.0709 0.063 Uiso 1 1 calc R U . . .
H14C H -0.2294 0.0425 0.1440 0.063 Uiso 1 1 calc R U . . .
C15 C -0.1227(5) -0.2354(3) 0.0536(3) 0.0409(11) Uani 1 1 d . . . . .
H15A H -0.1306 -0.2642 -0.0067 0.061 Uiso 1 1 calc R U . . .
H15B H -0.2230 -0.2451 0.0575 0.061 Uiso 1 1 calc R U . . .
H15C H -0.0789 -0.2741 0.0940 0.061 Uiso 1 1 calc R U . . .
C16 C 0.2225(5) -0.2826(3) 0.2364(3) 0.0410(11) Uani 1 1 d . . . . .
H16A H 0.2239 -0.3550 0.2364 0.061 Uiso 1 1 calc R U . . .
H16B H 0.3095 -0.2369 0.2207 0.061 Uiso 1 1 calc R U . . .
H16C H 0.1296 -0.2877 0.1934 0.061 Uiso 1 1 calc R U . . .
C17 C 0.7971(5) 0.4235(3) 0.0934(3) 0.0415(11) Uani 1 1 d . . . . .
H17A H 0.8919 0.4893 0.1202 0.050 Uiso 1 1 calc R U . . .
C18 C 0.5743(5) 0.6425(3) 0.2211(3) 0.0440(11) Uani 1 1 d . . . . .
H18A H 0.4958 0.6671 0.1921 0.066 Uiso 1 1 calc R U . . .
H18B H 0.6250 0.6276 0.1792 0.066 Uiso 1 1 calc R U . . .
H18C H 0.6478 0.6989 0.2713 0.066 Uiso 1 1 calc R U . . .
C19 C 0.9040(5) 0.5703(4) 0.4492(3) 0.0446(12) Uani 1 1 d . . . . .
H19A H 0.9765 0.6316 0.4961 0.067 Uiso 1 1 calc R U . . .
H19B H 0.9558 0.5494 0.4104 0.067 Uiso 1 1 calc R U . . .
H19C H 0.8587 0.5090 0.4753 0.067 Uiso 1 1 calc R U . . .
C20 C 1.0434(5) 0.4175(4) 0.2707(3) 0.0512(13) Uani 1 1 d . . . . .
H20A H 1.1197 0.3908 0.2992 0.077 Uiso 1 1 calc R U . . .
H20B H 1.0425 0.4751 0.3127 0.077 Uiso 1 1 calc R U . . .
H20C H 1.0671 0.4461 0.2199 0.077 Uiso 1 1 calc R U . . .
C21 C 0.3640(5) -0.2348(4) 0.3985(3) 0.0527(13) Uani 1 1 d . . . . .
H21A H 0.3599 -0.3090 0.3946 0.079 Uiso 1 1 calc R U . . .
H21B H 0.3603 -0.2082 0.4567 0.079 Uiso 1 1 calc R U . . .
H21C H 0.4579 -0.1882 0.3898 0.079 Uiso 1 1 calc R U . . .
C22 C 0.7125(5) 0.6502(4) 0.4568(3) 0.0510(13) Uani 1 1 d . . . . .
H22A H 0.7925 0.7103 0.5019 0.077 Uiso 1 1 calc R U . . .
H22B H 0.6603 0.5942 0.4853 0.077 Uiso 1 1 calc R U . . .
H22C H 0.6407 0.6767 0.4222 0.077 Uiso 1 1 calc R U . . .
C23 C 0.6805(6) 0.4609(4) 0.0396(3) 0.0582(15) Uani 1 1 d . . . . .
H23A H 0.7143 0.4907 -0.0084 0.087 Uiso 1 1 calc R U . . .
H23B H 0.6684 0.5167 0.0775 0.087 Uiso 1 1 calc R U . . .
H23C H 0.5840 0.3992 0.0149 0.087 Uiso 1 1 calc R U . . .
C24 C 0.8334(7) 0.3460(4) 0.0339(3) 0.0674(17) Uani 1 1 d . . . . .
H24A H 0.8641 0.3805 -0.0130 0.101 Uiso 1 1 calc R U . . .
H24B H 0.7438 0.2792 0.0079 0.101 Uiso 1 1 calc R U . . .
H24C H 0.9153 0.3287 0.0690 0.101 Uiso 1 1 calc R U . . .


_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
Te1 P3 2.4172(11) . ?
Te1 Co1 2.6045(6) . ?
Te2 P4 2.4168(10) . ?
Te2 Co1 2.5955(6) . ?
Te3 P1 2.4238(10) . ?
Te3 Co1 2.5893(5) . ?
Te4 P2 2.4265(10) . ?
Te4 Co1 2.5849(6) . ?
P2 N1 1.595(3) . ?
P2 C2 1.828(4) . ?
P2 C1 1.831(4) . ?
P1 N1 1.588(3) . ?
P1 C3 1.828(4) . ?
P1 C4 1.837(4) . ?
P3 N2 1.595(3) . ?
P3 C17 1.828(4) . ?
P3 C8 1.834(4) . ?
P4 N2 1.589(3) . ?
P4 C5 1.823(4) . ?
P4 C7 1.835(4) . ?
C1 C12 1.522(5) . ?
C1 C14 1.528(5) . ?
C2 C9 1.521(5) . ?
C2 C15 1.527(6) . ?
C3 C11 1.521(5) . ?
C3 C13 1.525(5) . ?
C4 C16 1.516(5) . ?
C4 C21 1.534(5) . ?
C5 C19 1.523(5) . ?
C5 C22 1.529(5) . ?
C6 C7 1.523(6) . ?
C7 C18 1.531(5) . ?
C8 C10 1.518(5) . ?
C8 C20 1.524(6) . ?
C17 C23 1.525(6) . ?
C17 C24 1.541(6) . ?

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
P3 Te1 Co1 102.73(3) . . ?
P4 Te2 Co1 102.99(3) . . ?
P1 Te3 Co1 104.83(3) . . ?
P2 Te4 Co1 104.48(3) . . ?
Te4 Co1 Te3 110.97(2) . . ?
Te4 Co1 Te2 103.966(19) . . ?
Te3 Co1 Te2 110.83(2) . . ?
Te4 Co1 Te1 113.03(2) . . ?
Te3 Co1 Te1 105.979(19) . . ?
Te2 Co1 Te1 112.18(2) . . ?
N1 P2 C2 110.95(16) . . ?
N1 P2 C1 106.15(16) . . ?
C2 P2 C1 106.05(18) . . ?
N1 P2 Te4 118.05(12) . . ?
C2 P2 Te4 108.18(13) . . ?
C1 P2 Te4 106.72(13) . . ?
N1 P1 C3 112.19(16) . . ?
N1 P1 C4 105.63(17) . . ?
C3 P1 C4 105.87(18) . . ?
N1 P1 Te3 118.68(12) . . ?
C3 P1 Te3 107.07(13) . . ?
C4 P1 Te3 106.55(13) . . ?
N2 P3 C17 104.86(17) . . ?
N2 P3 C8 111.70(18) . . ?
C17 P3 C8 105.31(19) . . ?
N2 P3 Te1 118.58(12) . . ?
C17 P3 Te1 107.39(16) . . ?
C8 P3 Te1 108.08(13) . . ?
N2 P4 C5 105.69(18) . . ?
N2 P4 C7 111.03(17) . . ?
C5 P4 C7 105.16(18) . . ?
N2 P4 Te2 118.95(11) . . ?
C5 P4 Te2 106.94(14) . . ?
C7 P4 Te2 108.12(13) . . ?
P1 N1 P2 140.7(2) . . ?
P4 N2 P3 139.8(2) . . ?
C12 C1 C14 111.3(3) . . ?
C12 C1 P2 110.8(3) . . ?
C14 C1 P2 113.5(3) . . ?
C9 C2 C15 111.5(3) . . ?
C9 C2 P2 111.5(3) . . ?
C15 C2 P2 112.1(3) . . ?
C11 C3 C13 111.4(3) . . ?
C11 C3 P1 111.9(3) . . ?
C13 C3 P1 112.3(3) . . ?
C16 C4 C21 111.5(3) . . ?
C16 C4 P1 110.8(3) . . ?
C21 C4 P1 113.0(3) . . ?
C19 C5 C22 110.8(4) . . ?
C19 C5 P4 110.2(3) . . ?
C22 C5 P4 114.3(3) . . ?
C6 C7 C18 111.4(3) . . ?
C6 C7 P4 111.9(3) . . ?
C18 C7 P4 111.5(3) . . ?
C10 C8 C20 111.1(4) . . ?
C10 C8 P3 111.8(3) . . ?
C20 C8 P3 112.2(3) . . ?
C23 C17 C24 111.0(4) . . ?
C23 C17 P3 111.2(3) . . ?
C24 C17 P3 113.4(3) . . ?

_refine_diff_density_max         0.920
_refine_diff_density_min         -0.678
_refine_diff_density_rms         0.147

_shelxl_version_number           2013-2



_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_solvent_exptl_crystal_recrystallization_method Hexane
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
