# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_1c
_database_code_depnum_ccdc_archive 'CCDC 1425361'
_audit_update_record             
;
2015-09-17 deposited with the CCDC.
2015-11-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C27 H25 Cr N O3 Pd'
_chemical_formula_sum            'C27 H25 Cr N O3 Pd'
_chemical_formula_weight         569.88

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'
Cr Cr 0.3209 0.6236 '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'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P21     '
_symmetry_space_group_name_Hall  'P 2yb'

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

_cell_length_a                   10.346(1)
_cell_length_b                   10.356(1)
_cell_length_c                   10.670(1)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.978(1)
_cell_angle_gamma                90.00
_cell_volume                     1143.05(19)
_cell_formula_units_Z            2
_cell_measurement_temperature    150.0(1)
_cell_measurement_reflns_used    2952
_cell_measurement_theta_min      0.998
_cell_measurement_theta_max      30.034

_exptl_crystal_description       plate
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.656
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             576
_exptl_absorpt_coefficient_mu    1.292
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7300
_exptl_absorpt_correction_T_max  0.9265
_exptl_absorpt_process_details   'DENZO/SCALEPACK (Otwinowski & Minor, 1996)'

_exptl_special_details           ?

_diffrn_ambient_temperature      150.0(1)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8366
_diffrn_reflns_av_R_equivalents  0.0266
_diffrn_reflns_av_sigmaI/netI    0.0361
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_theta_min         1.97
_diffrn_reflns_theta_max         30.02
_reflns_number_total             5580
_reflns_number_gt                5430
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'COLLECT (Hooft, R.W.W., 1998)'
_computing_cell_refinement       'DENZO (Otwinowski & Minor, 1997) & COLLECT'
_computing_data_reduction        'DENZO & COLLECT'
_computing_structure_solution    SHELXS-86(Sheldrick,1990)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material  'PLATON (Spek, 2009)'

_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 > 2sigma(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. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0237P)²+1.6453P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.02(3)
_refine_ls_number_reflns         5580
_refine_ls_number_parameters     373
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0304
_refine_ls_R_factor_gt           0.0292
_refine_ls_wR_factor_ref         0.0712
_refine_ls_wR_factor_gt          0.0698
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_restrained_S_all      0.998
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.191716(16) 0.19430(3) 0.281069(15) 0.01825(5) Uani 1 1 d . . .
Cr1 Cr 0.38707(4) 0.20398(9) 0.08576(4) 0.02215(11) Uani 1 1 d . . .
O1 O 0.3617(3) 0.2098(7) -0.1934(2) 0.0546(11) Uani 1 1 d . . .
O2 O 0.2032(4) 0.4280(4) 0.0726(4) 0.0387(9) Uani 1 1 d . . .
O3 O 0.2188(3) -0.0303(3) 0.0587(3) 0.0303(7) Uani 1 1 d . . .
N1 N 0.0011(2) 0.1609(2) 0.1995(2) 0.0201(5) Uani 1 1 d . . .
C1 C -0.0840(3) 0.2489(3) 0.2742(3) 0.0209(5) Uani 1 1 d . . .
H1 H -0.173(3) 0.213(5) 0.258(3) 0.025 Uiso 1 1 d . . .
C2 C -0.0444(3) 0.2347(3) 0.4106(3) 0.0199(6) Uani 1 1 d . . .
C3 C 0.0835(2) 0.2034(5) 0.4363(2) 0.0201(5) Uani 1 1 d . . .
C4 C 0.1222(3) 0.1827(5) 0.5628(2) 0.0231(7) Uani 1 1 d . . .
H4 H 0.210(4) 0.160(4) 0.585(3) 0.028 Uiso 1 1 d . . .
C5 C 0.0357(2) 0.1962(6) 0.6582(2) 0.0245(5) Uani 1 1 d . . .
H5 H 0.066(3) 0.178(5) 0.745(3) 0.029 Uiso 1 1 d . . .
C6 C -0.0944(3) 0.2304(3) 0.6339(3) 0.0217(6) Uani 1 1 d . . .
C7 C -0.1849(3) 0.2421(4) 0.7318(3) 0.0267(6) Uani 1 1 d . . .
H7 H -0.153(4) 0.233(4) 0.817(4) 0.032 Uiso 1 1 d . . .
C8 C -0.3096(3) 0.2774(4) 0.7066(3) 0.0297(7) Uani 1 1 d . . .
H8 H -0.373(4) 0.291(5) 0.772(4) 0.036 Uiso 1 1 d . . .
C9 C -0.3494(3) 0.3054(4) 0.5825(3) 0.0300(7) Uani 1 1 d . . .
H9 H -0.431(4) 0.329(5) 0.565(4) 0.036 Uiso 1 1 d . . .
C10 C -0.2647(3) 0.2927(3) 0.4858(3) 0.0244(6) Uani 1 1 d . . .
H10 H -0.296(4) 0.308(4) 0.401(4) 0.029 Uiso 1 1 d . . .
C11 C -0.1350(3) 0.2532(3) 0.5076(3) 0.0202(5) Uani 1 1 d . . .
C12 C -0.0756(5) 0.3890(4) 0.2344(4) 0.0290(8) Uani 1 1 d . . .
H12A H 0.014(5) 0.420(5) 0.242(5) 0.044 Uiso 1 1 d . . .
H12B H -0.126(5) 0.439(6) 0.287(5) 0.044 Uiso 1 1 d . . .
H12C H -0.114(5) 0.405(5) 0.152(5) 0.044 Uiso 1 1 d . . .
C13 C -0.0206(3) 0.1848(6) 0.0628(2) 0.0273(7) Uani 1 1 d . . .
H13A H 0.029(5) 0.126(6) 0.023(6) 0.041 Uiso 1 1 d . . .
H13B H 0.012(5) 0.275(6) 0.030(6) 0.041 Uiso 1 1 d . . .
H13C H -0.113(4) 0.181(6) 0.046(3) 0.041 Uiso 1 1 d . . .
C14 C -0.0362(4) 0.0248(4) 0.2252(4) 0.0270(8) Uani 1 1 d . . .
H14A H -0.122(5) 0.006(5) 0.195(5) 0.041 Uiso 1 1 d . . .
H14B H -0.031(5) 0.008(5) 0.307(5) 0.041 Uiso 1 1 d . . .
H14C H 0.021(5) -0.030(5) 0.180(5) 0.041 Uiso 1 1 d . . .
C15 C 0.3613(3) 0.2313(3) 0.3890(3) 0.0224(6) Uani 1 1 d . . .
H15 H 0.366(3) 0.174(5) 0.456(3) 0.027 Uiso 1 1 d . . .
C16 C 0.4511(2) 0.2065(5) 0.2877(2) 0.0215(6) Uani 1 1 d . . .
C17 C 0.4924(4) 0.0906(4) 0.2323(4) 0.0246(8) Uani 1 1 d . . .
H17 H 0.464(4) 0.015(5) 0.261(4) 0.030 Uiso 1 1 d . . .
C18 C 0.5706(4) 0.0969(5) 0.1243(5) 0.0324(10) Uani 1 1 d . . .
H18 H 0.595(5) 0.020(5) 0.093(5) 0.039 Uiso 1 1 d . . .
C19 C 0.5997(3) 0.2163(5) 0.0713(3) 0.0341(12) Uani 1 1 d . . .
H19 H 0.651(4) 0.220(5) -0.009(4) 0.041 Uiso 1 1 d . . .
C20 C 0.5606(4) 0.3331(5) 0.1259(4) 0.0299(9) Uani 1 1 d . . .
H20 H 0.580(5) 0.419(5) 0.084(5) 0.036 Uiso 1 1 d . . .
C21 C 0.4903(4) 0.3291(4) 0.2383(4) 0.0241(8) Uani 1 1 d . . .
C22 C 0.4375(4) 0.4282(4) 0.3152(4) 0.0299(7) Uani 1 1 d . . .
H22 H 0.452(4) 0.512(5) 0.307(4) 0.036 Uiso 1 1 d . . .
C23 C 0.3645(3) 0.3730(3) 0.4065(3) 0.0239(6) Uani 1 1 d . . .
C24 C 0.2978(4) 0.4436(4) 0.5077(4) 0.0367(8) Uani 1 1 d . . .
H24A H 0.320(5) 0.541(6) 0.508(5) 0.055 Uiso 1 1 d . . .
H24B H 0.316(5) 0.402(5) 0.591(5) 0.055 Uiso 1 1 d . . .
H24C H 0.201(5) 0.439(6) 0.488(5) 0.055 Uiso 1 1 d . . .
C25 C 0.3733(3) 0.2081(7) -0.0862(3) 0.0337(10) Uani 1 1 d . . .
C26 C 0.2669(4) 0.3377(5) 0.0840(5) 0.0282(9) Uani 1 1 d . . .
C27 C 0.2762(4) 0.0642(5) 0.0747(4) 0.0246(8) Uani 1 1 d . . .


_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
Pd1 C3 2.017(2) . ?
Pd1 C15 2.117(3) . ?
Pd1 N1 2.170(2) . ?
Pd1 Cr1 2.9294(5) . ?
Cr1 C25 1.838(3) . ?
Cr1 C27 1.849(5) . ?
Cr1 C26 1.861(5) . ?
Cr1 C19 2.211(3) . ?
Cr1 C17 2.226(4) . ?
Cr1 C18 2.231(5) . ?
Cr1 C16 2.244(2) . ?
Cr1 C20 2.274(4) . ?
Cr1 C21 2.326(4) . ?
O1 C25 1.148(4) . ?
O2 C26 1.149(6) . ?
O3 C27 1.156(6) . ?
N1 C14 1.489(5) . ?
N1 C13 1.492(4) . ?
N1 C1 1.505(4) . ?
C1 C2 1.512(4) . ?
C1 C12 1.515(5) . ?
C1 H1 1.00(4) . ?
C2 C3 1.386(4) . ?
C2 C11 1.422(4) . ?
C3 C4 1.417(3) . ?
C4 C5 1.374(4) . ?
C4 H4 0.96(4) . ?
C5 C6 1.411(4) . ?
C5 H5 0.99(3) . ?
C6 C7 1.420(4) . ?
C6 C11 1.424(4) . ?
C7 C8 1.363(5) . ?
C7 H7 0.97(4) . ?
C8 C9 1.410(5) . ?
C8 H8 0.97(4) . ?
C9 C10 1.371(5) . ?
C9 H9 0.89(5) . ?
C10 C11 1.418(4) . ?
C10 H10 0.97(4) . ?
C12 H12A 0.98(5) . ?
C12 H12B 0.93(5) . ?
C12 H12C 0.97(5) . ?
C13 H13A 0.91(6) . ?
C13 H13B 1.05(6) . ?
C13 H13C 0.97(4) . ?
C14 H14A 0.96(5) . ?
C14 H14B 0.89(5) . ?
C14 H14C 0.95(5) . ?
C15 C16 1.460(4) . ?
C15 C23 1.479(5) . ?
C15 H15 0.93(4) . ?
C16 C17 1.407(7) . ?
C16 C21 1.436(6) . ?
C17 C18 1.421(6) . ?
C17 H17 0.89(5) . ?
C18 C19 1.394(7) . ?
C18 H18 0.89(5) . ?
C19 C20 1.405(7) . ?
C19 H19 1.01(4) . ?
C20 C21 1.414(6) . ?
C20 H20 1.02(5) . ?
C21 C22 1.428(6) . ?
C22 C23 1.368(5) . ?
C22 H22 0.88(5) . ?
C23 C24 1.484(5) . ?
C24 H24A 1.03(6) . ?
C24 H24B 1.00(5) . ?
C24 H24C 1.02(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
C3 Pd1 C15 90.63(11) . . ?
C3 Pd1 N1 79.85(10) . . ?
C15 Pd1 N1 170.46(10) . . ?
C3 Pd1 Cr1 169.05(9) . . ?
C15 Pd1 Cr1 78.77(9) . . ?
N1 Pd1 Cr1 110.70(6) . . ?
C25 Cr1 C27 85.2(2) . . ?
C25 Cr1 C26 86.1(2) . . ?
C27 Cr1 C26 99.68(13) . . ?
C25 Cr1 C19 89.38(13) . . ?
C27 Cr1 C19 131.1(2) . . ?
C26 Cr1 C19 128.4(2) . . ?
C25 Cr1 C17 137.9(2) . . ?
C27 Cr1 C17 85.86(19) . . ?
C26 Cr1 C17 136.0(2) . . ?
C19 Cr1 C17 66.64(15) . . ?
C25 Cr1 C18 104.27(19) . . ?
C27 Cr1 C18 98.5(2) . . ?
C26 Cr1 C18 159.7(2) . . ?
C19 Cr1 C18 36.58(19) . . ?
C17 Cr1 C18 37.18(17) . . ?
C25 Cr1 C16 167.10(12) . . ?
C27 Cr1 C16 104.06(19) . . ?
C26 Cr1 C16 100.82(19) . . ?
C19 Cr1 C16 77.78(11) . . ?
C17 Cr1 C16 36.69(17) . . ?
C18 Cr1 C16 65.93(16) . . ?
C25 Cr1 C20 102.8(2) . . ?
C27 Cr1 C20 163.60(19) . . ?
C26 Cr1 C20 95.1(2) . . ?
C19 Cr1 C20 36.48(18) . . ?
C17 Cr1 C20 78.59(16) . . ?
C18 Cr1 C20 65.84(18) . . ?
C16 Cr1 C20 65.98(15) . . ?
C25 Cr1 C21 135.4(2) . . ?
C27 Cr1 C21 139.25(18) . . ?
C26 Cr1 C21 83.8(2) . . ?
C19 Cr1 C21 64.62(16) . . ?
C17 Cr1 C21 65.71(13) . . ?
C18 Cr1 C21 76.64(17) . . ?
C16 Cr1 C21 36.58(16) . . ?
C20 Cr1 C21 35.79(15) . . ?
C25 Cr1 Pd1 131.93(9) . . ?
C27 Cr1 Pd1 65.42(13) . . ?
C26 Cr1 Pd1 64.14(15) . . ?
C19 Cr1 Pd1 138.65(9) . . ?
C17 Cr1 Pd1 79.49(11) . . ?
C18 Cr1 Pd1 116.56(13) . . ?
C16 Cr1 Pd1 60.87(7) . . ?
C20 Cr1 Pd1 116.00(12) . . ?
C21 Cr1 Pd1 80.52(11) . . ?
C14 N1 C13 107.6(3) . . ?
C14 N1 C1 108.7(3) . . ?
C13 N1 C1 109.7(3) . . ?
C14 N1 Pd1 108.3(2) . . ?
C13 N1 Pd1 119.08(18) . . ?
C1 N1 Pd1 103.10(16) . . ?
N1 C1 C2 107.4(2) . . ?
N1 C1 C12 113.2(3) . . ?
C2 C1 C12 110.3(3) . . ?
N1 C1 H1 103(2) . . ?
C2 C1 H1 111.2(19) . . ?
C12 C1 H1 111(3) . . ?
C3 C2 C11 121.8(2) . . ?
C3 C2 C1 117.1(2) . . ?
C11 C2 C1 121.1(3) . . ?
C2 C3 C4 118.5(2) . . ?
C2 C3 Pd1 112.93(18) . . ?
C4 C3 Pd1 128.6(2) . . ?
C5 C4 C3 120.9(3) . . ?
C5 C4 H4 118(2) . . ?
C3 C4 H4 121(2) . . ?
C4 C5 C6 121.3(2) . . ?
C4 C5 H5 119(2) . . ?
C6 C5 H5 120(2) . . ?
C5 C6 C7 121.6(3) . . ?
C5 C6 C11 118.7(3) . . ?
C7 C6 C11 119.6(3) . . ?
C8 C7 C6 120.8(3) . . ?
C8 C7 H7 121(2) . . ?
C6 C7 H7 118(2) . . ?
C7 C8 C9 120.0(3) . . ?
C7 C8 H8 123(3) . . ?
C9 C8 H8 117(3) . . ?
C10 C9 C8 120.5(3) . . ?
C10 C9 H9 118(3) . . ?
C8 C9 H9 121(3) . . ?
C9 C10 C11 121.3(3) . . ?
C9 C10 H10 119(3) . . ?
C11 C10 H10 120(3) . . ?
C10 C11 C2 123.6(3) . . ?
C10 C11 C6 117.8(3) . . ?
C2 C11 C6 118.6(3) . . ?
C1 C12 H12A 110(3) . . ?
C1 C12 H12B 109(3) . . ?
H12A C12 H12B 108(4) . . ?
C1 C12 H12C 113(3) . . ?
H12A C12 H12C 113(4) . . ?
H12B C12 H12C 103(4) . . ?
N1 C13 H13A 106(4) . . ?
N1 C13 H13B 115(4) . . ?
H13A C13 H13B 105(3) . . ?
N1 C13 H13C 108(2) . . ?
H13A C13 H13C 116(5) . . ?
H13B C13 H13C 107(5) . . ?
N1 C14 H14A 112(3) . . ?
N1 C14 H14B 111(3) . . ?
H14A C14 H14B 110(4) . . ?
N1 C14 H14C 108(3) . . ?
H14A C14 H14C 106(4) . . ?
H14B C14 H14C 110(4) . . ?
C16 C15 C23 104.8(3) . . ?
C16 C15 Pd1 95.61(17) . . ?
C23 C15 Pd1 105.4(2) . . ?
C16 C15 H15 115(2) . . ?
C23 C15 H15 122(3) . . ?
Pd1 C15 H15 110(2) . . ?
C17 C16 C21 120.7(3) . . ?
C17 C16 C15 131.5(4) . . ?
C21 C16 C15 107.6(4) . . ?
C17 C16 Cr1 71.0(2) . . ?
C21 C16 Cr1 74.9(2) . . ?
C15 C16 Cr1 122.10(18) . . ?
C16 C17 C18 118.9(4) . . ?
C16 C17 Cr1 72.3(2) . . ?
C18 C17 Cr1 71.6(3) . . ?
C16 C17 H17 120(3) . . ?
C18 C17 H17 121(3) . . ?
Cr1 C17 H17 123(3) . . ?
C19 C18 C17 119.9(4) . . ?
C19 C18 Cr1 70.9(2) . . ?
C17 C18 Cr1 71.2(3) . . ?
C19 C18 H18 125(4) . . ?
C17 C18 H18 115(4) . . ?
Cr1 C18 H18 128(3) . . ?
C18 C19 C20 122.0(3) . . ?
C18 C19 Cr1 72.5(2) . . ?
C20 C19 Cr1 74.2(2) . . ?
C18 C19 H19 119(3) . . ?
C20 C19 H19 119(3) . . ?
Cr1 C19 H19 127(2) . . ?
C19 C20 C21 118.8(4) . . ?
C19 C20 Cr1 69.3(2) . . ?
C21 C20 Cr1 74.1(2) . . ?
C19 C20 H20 120(3) . . ?
C21 C20 H20 121(3) . . ?
Cr1 C20 H20 127(3) . . ?
C20 C21 C22 132.4(4) . . ?
C20 C21 C16 119.3(4) . . ?
C22 C21 C16 108.2(3) . . ?
C20 C21 Cr1 70.1(3) . . ?
C22 C21 Cr1 128.8(3) . . ?
C16 C21 Cr1 68.6(2) . . ?
C23 C22 C21 109.2(3) . . ?
C23 C22 H22 125(3) . . ?
C21 C22 H22 126(3) . . ?
C22 C23 C15 109.7(3) . . ?
C22 C23 C24 125.6(4) . . ?
C15 C23 C24 124.8(3) . . ?
C23 C24 H24A 112(3) . . ?
C23 C24 H24B 111(3) . . ?
H24A C24 H24B 112(4) . . ?
C23 C24 H24C 107(3) . . ?
H24A C24 H24C 105(5) . . ?
H24B C24 H24C 110(4) . . ?
O1 C25 Cr1 178.3(3) . . ?
O2 C26 Cr1 171.2(4) . . ?
O3 C27 Cr1 171.4(4) . . ?

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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C3 Pd1 Cr1 C25 -154.9(8) . . . . ?
C15 Pd1 Cr1 C25 -169.7(3) . . . . ?
N1 Pd1 Cr1 C25 9.1(3) . . . . ?
C3 Pd1 Cr1 C27 147.3(8) . . . . ?
C15 Pd1 Cr1 C27 132.51(18) . . . . ?
N1 Pd1 Cr1 C27 -48.68(17) . . . . ?
C3 Pd1 Cr1 C26 -97.4(8) . . . . ?
C15 Pd1 Cr1 C26 -112.19(19) . . . . ?
N1 Pd1 Cr1 C26 66.62(19) . . . . ?
C3 Pd1 Cr1 C19 22.3(8) . . . . ?
C15 Pd1 Cr1 C19 7.5(2) . . . . ?
N1 Pd1 Cr1 C19 -173.7(2) . . . . ?
C3 Pd1 Cr1 C17 57.1(8) . . . . ?
C15 Pd1 Cr1 C17 42.28(15) . . . . ?
N1 Pd1 Cr1 C17 -138.91(14) . . . . ?
C3 Pd1 Cr1 C18 60.0(8) . . . . ?
C15 Pd1 Cr1 C18 45.22(18) . . . . ?
N1 Pd1 Cr1 C18 -135.97(17) . . . . ?
C3 Pd1 Cr1 C16 23.2(7) . . . . ?
C15 Pd1 Cr1 C16 8.41(18) . . . . ?
N1 Pd1 Cr1 C16 -172.79(17) . . . . ?
C3 Pd1 Cr1 C20 -14.6(8) . . . . ?
C15 Pd1 Cr1 C20 -29.40(16) . . . . ?
N1 Pd1 Cr1 C20 149.41(15) . . . . ?
C3 Pd1 Cr1 C21 -9.7(8) . . . . ?
C15 Pd1 Cr1 C21 -24.57(14) . . . . ?
N1 Pd1 Cr1 C21 154.24(13) . . . . ?
C3 Pd1 N1 C14 -77.6(3) . . . . ?
C15 Pd1 N1 C14 -81.6(7) . . . . ?
Cr1 Pd1 N1 C14 105.5(2) . . . . ?
C3 Pd1 N1 C13 159.2(3) . . . . ?
C15 Pd1 N1 C13 155.2(7) . . . . ?
Cr1 Pd1 N1 C13 -17.8(3) . . . . ?
C3 Pd1 N1 C1 37.4(2) . . . . ?
C15 Pd1 N1 C1 33.4(8) . . . . ?
Cr1 Pd1 N1 C1 -139.51(16) . . . . ?
C14 N1 C1 C2 70.7(3) . . . . ?
C13 N1 C1 C2 -171.9(3) . . . . ?
Pd1 N1 C1 C2 -44.1(3) . . . . ?
C14 N1 C1 C12 -167.2(3) . . . . ?
C13 N1 C1 C12 -49.8(4) . . . . ?
Pd1 N1 C1 C12 78.0(3) . . . . ?
N1 C1 C2 C3 29.6(4) . . . . ?
C12 C1 C2 C3 -94.2(4) . . . . ?
N1 C1 C2 C11 -150.6(3) . . . . ?
C12 C1 C2 C11 85.5(4) . . . . ?
C11 C2 C3 C4 3.5(7) . . . . ?
C1 C2 C3 C4 -176.7(4) . . . . ?
C11 C2 C3 Pd1 -176.3(3) . . . . ?
C1 C2 C3 Pd1 3.4(5) . . . . ?
C15 Pd1 C3 C2 156.0(3) . . . . ?
N1 Pd1 C3 C2 -23.3(3) . . . . ?
Cr1 Pd1 C3 C2 141.5(5) . . . . ?
C15 Pd1 C3 C4 -23.8(5) . . . . ?
N1 Pd1 C3 C4 156.8(5) . . . . ?
Cr1 Pd1 C3 C4 -38.4(12) . . . . ?
C2 C3 C4 C5 -1.5(8) . . . . ?
Pd1 C3 C4 C5 178.3(5) . . . . ?
C3 C4 C5 C6 0.3(9) . . . . ?
C4 C5 C6 C7 178.7(5) . . . . ?
C4 C5 C6 C11 -1.0(8) . . . . ?
C5 C6 C7 C8 178.8(4) . . . . ?
C11 C6 C7 C8 -1.4(5) . . . . ?
C6 C7 C8 C9 -1.2(6) . . . . ?
C7 C8 C9 C10 2.4(6) . . . . ?
C8 C9 C10 C11 -0.9(6) . . . . ?
C9 C10 C11 C2 178.0(3) . . . . ?
C9 C10 C11 C6 -1.7(5) . . . . ?
C3 C2 C11 C10 176.1(4) . . . . ?
C1 C2 C11 C10 -3.6(5) . . . . ?
C3 C2 C11 C6 -4.2(5) . . . . ?
C1 C2 C11 C6 176.0(3) . . . . ?
C5 C6 C11 C10 -177.4(4) . . . . ?
C7 C6 C11 C10 2.8(5) . . . . ?
C5 C6 C11 C2 2.9(5) . . . . ?
C7 C6 C11 C2 -176.9(3) . . . . ?
C3 Pd1 C15 C16 171.4(3) . . . . ?
N1 Pd1 C15 C16 175.4(6) . . . . ?
Cr1 Pd1 C15 C16 -11.4(2) . . . . ?
C3 Pd1 C15 C23 -81.6(3) . . . . ?
N1 Pd1 C15 C23 -77.6(7) . . . . ?
Cr1 Pd1 C15 C23 95.6(2) . . . . ?
C23 C15 C16 C17 177.4(3) . . . . ?
Pd1 C15 C16 C17 -75.0(4) . . . . ?
C23 C15 C16 C21 -7.4(3) . . . . ?
Pd1 C15 C16 C21 100.2(2) . . . . ?
C23 C15 C16 Cr1 -90.2(4) . . . . ?
Pd1 C15 C16 Cr1 17.3(4) . . . . ?
C25 Cr1 C16 C17 -72.8(12) . . . . ?
C27 Cr1 C16 C17 62.6(3) . . . . ?
C26 Cr1 C16 C17 165.5(3) . . . . ?
C19 Cr1 C16 C17 -67.1(3) . . . . ?
C18 Cr1 C16 C17 -30.6(3) . . . . ?
C20 Cr1 C16 C17 -103.6(3) . . . . ?
C21 Cr1 C16 C17 -130.8(3) . . . . ?
Pd1 Cr1 C16 C17 113.5(3) . . . . ?
C25 Cr1 C16 C21 58.0(12) . . . . ?
C27 Cr1 C16 C21 -166.7(3) . . . . ?
C26 Cr1 C16 C21 -63.7(3) . . . . ?
C19 Cr1 C16 C21 63.6(3) . . . . ?
C17 Cr1 C16 C21 130.8(3) . . . . ?
C18 Cr1 C16 C21 100.2(3) . . . . ?
C20 Cr1 C16 C21 27.2(2) . . . . ?
Pd1 Cr1 C16 C21 -115.7(3) . . . . ?
C25 Cr1 C16 C15 159.5(11) . . . . ?
C27 Cr1 C16 C15 -65.1(4) . . . . ?
C26 Cr1 C16 C15 37.9(4) . . . . ?
C19 Cr1 C16 C15 165.2(4) . . . . ?
C17 Cr1 C16 C15 -127.7(5) . . . . ?
C18 Cr1 C16 C15 -158.3(4) . . . . ?
C20 Cr1 C16 C15 128.7(4) . . . . ?
C21 Cr1 C16 C15 101.5(5) . . . . ?
Pd1 Cr1 C16 C15 -14.2(3) . . . . ?
C21 C16 C17 C18 -1.8(4) . . . . ?
C15 C16 C17 C18 172.8(3) . . . . ?
Cr1 C16 C17 C18 56.4(4) . . . . ?
C21 C16 C17 Cr1 -58.2(2) . . . . ?
C15 C16 C17 Cr1 116.4(3) . . . . ?
C25 Cr1 C17 C16 161.5(3) . . . . ?
C27 Cr1 C17 C16 -120.3(3) . . . . ?
C26 Cr1 C17 C16 -20.7(4) . . . . ?
C19 Cr1 C17 C16 101.2(3) . . . . ?
C18 Cr1 C17 C16 129.8(4) . . . . ?
C20 Cr1 C17 C16 64.9(2) . . . . ?
C21 Cr1 C17 C16 29.68(19) . . . . ?
Pd1 Cr1 C17 C16 -54.6(2) . . . . ?
C25 Cr1 C17 C18 31.7(4) . . . . ?
C27 Cr1 C17 C18 109.9(3) . . . . ?
C26 Cr1 C17 C18 -150.4(3) . . . . ?
C19 Cr1 C17 C18 -28.6(3) . . . . ?
C16 Cr1 C17 C18 -129.8(4) . . . . ?
C20 Cr1 C17 C18 -64.9(3) . . . . ?
C21 Cr1 C17 C18 -100.1(3) . . . . ?
Pd1 Cr1 C17 C18 175.6(3) . . . . ?
C16 C17 C18 C19 -3.2(6) . . . . ?
Cr1 C17 C18 C19 53.5(4) . . . . ?
C16 C17 C18 Cr1 -56.8(3) . . . . ?
C25 Cr1 C18 C19 68.8(3) . . . . ?
C27 Cr1 C18 C19 156.0(3) . . . . ?
C26 Cr1 C18 C19 -50.4(7) . . . . ?
C17 Cr1 C18 C19 -132.5(4) . . . . ?
C16 Cr1 C18 C19 -102.3(3) . . . . ?
C20 Cr1 C18 C19 -29.0(2) . . . . ?
C21 Cr1 C18 C19 -65.2(3) . . . . ?
Pd1 Cr1 C18 C19 -137.3(2) . . . . ?
C25 Cr1 C18 C17 -158.7(3) . . . . ?
C27 Cr1 C18 C17 -71.5(3) . . . . ?
C26 Cr1 C18 C17 82.1(7) . . . . ?
C19 Cr1 C18 C17 132.5(4) . . . . ?
C16 Cr1 C18 C17 30.2(3) . . . . ?
C20 Cr1 C18 C17 103.4(3) . . . . ?
C21 Cr1 C18 C17 67.3(3) . . . . ?
Pd1 Cr1 C18 C17 -4.8(3) . . . . ?
C17 C18 C19 C20 4.0(5) . . . . ?
Cr1 C18 C19 C20 57.7(3) . . . . ?
C17 C18 C19 Cr1 -53.7(4) . . . . ?
C25 Cr1 C19 C18 -115.4(3) . . . . ?
C27 Cr1 C19 C18 -32.2(3) . . . . ?
C26 Cr1 C19 C18 160.1(3) . . . . ?
C17 Cr1 C19 C18 29.0(3) . . . . ?
C16 Cr1 C19 C18 65.9(3) . . . . ?
C20 Cr1 C19 C18 131.8(3) . . . . ?
C21 Cr1 C19 C18 102.1(3) . . . . ?
Pd1 Cr1 C19 C18 66.7(3) . . . . ?
C25 Cr1 C19 C20 112.8(3) . . . . ?
C27 Cr1 C19 C20 -164.1(3) . . . . ?
C26 Cr1 C19 C20 28.3(3) . . . . ?
C17 Cr1 C19 C20 -102.8(3) . . . . ?
C18 Cr1 C19 C20 -131.8(3) . . . . ?
C16 Cr1 C19 C20 -66.0(3) . . . . ?
C21 Cr1 C19 C20 -29.7(2) . . . . ?
Pd1 Cr1 C19 C20 -65.1(3) . . . . ?
C18 C19 C20 C21 0.3(5) . . . . ?
Cr1 C19 C20 C21 57.3(4) . . . . ?
C18 C19 C20 Cr1 -56.9(3) . . . . ?
C25 Cr1 C20 C19 -71.0(3) . . . . ?
C27 Cr1 C20 C19 47.1(7) . . . . ?
C26 Cr1 C20 C19 -158.1(3) . . . . ?
C17 Cr1 C20 C19 66.0(2) . . . . ?
C18 Cr1 C20 C19 29.1(2) . . . . ?
C16 Cr1 C20 C19 102.3(3) . . . . ?
C21 Cr1 C20 C19 130.0(4) . . . . ?
Pd1 Cr1 C20 C19 138.2(2) . . . . ?
C25 Cr1 C20 C21 159.0(3) . . . . ?
C27 Cr1 C20 C21 -82.9(7) . . . . ?
C26 Cr1 C20 C21 71.9(3) . . . . ?
C19 Cr1 C20 C21 -130.0(4) . . . . ?
C17 Cr1 C20 C21 -64.0(3) . . . . ?
C18 Cr1 C20 C21 -100.9(3) . . . . ?
C16 Cr1 C20 C21 -27.7(3) . . . . ?
Pd1 Cr1 C20 C21 8.2(3) . . . . ?
C19 C20 C21 C22 -179.8(4) . . . . ?
Cr1 C20 C21 C22 -124.9(5) . . . . ?
C19 C20 C21 C16 -5.4(6) . . . . ?
Cr1 C20 C21 C16 49.5(3) . . . . ?
C19 C20 C21 Cr1 -54.9(3) . . . . ?
C17 C16 C21 C20 6.2(4) . . . . ?
C15 C16 C21 C20 -169.7(3) . . . . ?
Cr1 C16 C21 C20 -50.2(4) . . . . ?
C17 C16 C21 C22 -178.2(4) . . . . ?
C15 C16 C21 C22 6.0(4) . . . . ?
Cr1 C16 C21 C22 125.5(3) . . . . ?
C17 C16 C21 Cr1 56.4(2) . . . . ?
C15 C16 C21 Cr1 -119.4(2) . . . . ?
C25 Cr1 C21 C20 -29.8(4) . . . . ?
C27 Cr1 C21 C20 154.6(3) . . . . ?
C26 Cr1 C21 C20 -107.8(3) . . . . ?
C19 Cr1 C21 C20 30.3(3) . . . . ?
C17 Cr1 C21 C20 104.8(3) . . . . ?
C18 Cr1 C21 C20 67.1(3) . . . . ?
C16 Cr1 C21 C20 134.5(4) . . . . ?
Pd1 Cr1 C21 C20 -172.6(3) . . . . ?
C25 Cr1 C21 C22 99.1(4) . . . . ?
C27 Cr1 C21 C22 -76.5(4) . . . . ?
C26 Cr1 C21 C22 21.1(4) . . . . ?
C19 Cr1 C21 C22 159.2(4) . . . . ?
C17 Cr1 C21 C22 -126.3(4) . . . . ?
C18 Cr1 C21 C22 -164.0(4) . . . . ?
C16 Cr1 C21 C22 -96.6(4) . . . . ?
C20 Cr1 C21 C22 128.9(5) . . . . ?
Pd1 Cr1 C21 C22 -43.6(3) . . . . ?
C25 Cr1 C21 C16 -164.4(3) . . . . ?
C27 Cr1 C21 C16 20.1(4) . . . . ?
C26 Cr1 C21 C16 117.7(3) . . . . ?
C19 Cr1 C21 C16 -104.3(3) . . . . ?
C17 Cr1 C21 C16 -29.76(19) . . . . ?
C18 Cr1 C21 C16 -67.5(2) . . . . ?
C20 Cr1 C21 C16 -134.5(4) . . . . ?
Pd1 Cr1 C21 C16 52.9(2) . . . . ?
C20 C21 C22 C23 172.8(4) . . . . ?
C16 C21 C22 C23 -2.1(4) . . . . ?
Cr1 C21 C22 C23 74.7(4) . . . . ?
C21 C22 C23 C15 -2.7(4) . . . . ?
C21 C22 C23 C24 177.5(3) . . . . ?
C16 C15 C23 C22 6.3(3) . . . . ?
Pd1 C15 C23 C22 -93.9(3) . . . . ?
C16 C15 C23 C24 -174.0(3) . . . . ?
Pd1 C15 C23 C24 85.8(3) . . . . ?
C27 Cr1 C25 O1 37(25) . . . . ?
C26 Cr1 C25 O1 -63(25) . . . . ?
C19 Cr1 C25 O1 168(25) . . . . ?
C17 Cr1 C25 O1 115(25) . . . . ?
C18 Cr1 C25 O1 134(25) . . . . ?
C16 Cr1 C25 O1 174(100) . . . . ?
C20 Cr1 C25 O1 -158(25) . . . . ?
C21 Cr1 C25 O1 -140(25) . . . . ?
Pd1 Cr1 C25 O1 -14(25) . . . . ?
C25 Cr1 C26 O2 -53(3) . . . . ?
C27 Cr1 C26 O2 -138(3) . . . . ?
C19 Cr1 C26 O2 33(3) . . . . ?
C17 Cr1 C26 O2 128(3) . . . . ?
C18 Cr1 C26 O2 69(3) . . . . ?
C16 Cr1 C26 O2 116(3) . . . . ?
C20 Cr1 C26 O2 49(3) . . . . ?
C21 Cr1 C26 O2 83(3) . . . . ?
Pd1 Cr1 C26 O2 166(3) . . . . ?
C25 Cr1 C27 O3 59(3) . . . . ?
C26 Cr1 C27 O3 144(3) . . . . ?
C19 Cr1 C27 O3 -26(3) . . . . ?
C17 Cr1 C27 O3 -80(3) . . . . ?
C18 Cr1 C27 O3 -45(3) . . . . ?
C16 Cr1 C27 O3 -112(3) . . . . ?
C20 Cr1 C27 O3 -61(3) . . . . ?
C21 Cr1 C27 O3 -124(3) . . . . ?
Pd1 Cr1 C27 O3 -160(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        30.02
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         0.441
_refine_diff_density_min         -0.513
_refine_diff_density_rms         0.074
_chemical_properties_physical    
'Air-sensitive, Heat-sensitive, Light-sensitive'
####################################################################### 
# 
# 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_2c
_database_code_depnum_ccdc_archive 'CCDC 1425362'
_audit_update_record             
;
2015-09-17 deposited with the CCDC.
2015-11-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C44 H40 Cr2 N2 O6 Pd2'
_chemical_formula_sum            'C44 H40 Cr2 N2 O6 Pd2'
_chemical_formula_weight         1009.58

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'
Cr Cr 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 '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                   7.6062(4)
_cell_length_b                   9.3530(5)
_cell_length_c                   17.0014(9)
_cell_angle_alpha                103.7930(10)
_cell_angle_beta                 100.4390(10)
_cell_angle_gamma                98.6170(10)
_cell_volume                     1131.33(10)
_cell_formula_units_Z            1
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    7224
_cell_measurement_theta_min      2.29
_cell_measurement_theta_max      30.02

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.482
_exptl_crystal_F_000             506
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    1.295
_shelx_estimated_absorpt_T_min   0.782
_shelx_estimated_absorpt_T_max   0.830
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6592
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_process_details   sadabs

_exptl_special_details           ?

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            18570
_diffrn_reflns_av_unetI/netI     0.0418
_diffrn_reflns_av_R_equivalents  0.0297
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.289
_diffrn_reflns_theta_max         30.031
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             6588
_reflns_number_gt                5240
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0421P)²] where P=(Fo²+2Fc²)/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         6588
_refine_ls_number_parameters     255
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0464
_refine_ls_R_factor_gt           0.0325
_refine_ls_wR_factor_ref         0.0783
_refine_ls_wR_factor_gt          0.0753
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_restrained_S_all      1.025
_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
C1 C 0.6300(3) -0.0436(3) 0.32192(14) 0.0290(5) Uani 1 1 d . . . . .
C2 C 0.6177(4) -0.1979(3) 0.29229(17) 0.0426(7) Uani 1 1 d . . . . .
H2 H 0.5070 -0.2579 0.2566 0.051 Uiso 1 1 calc R U . . .
C3 C 0.7599(5) -0.2660(3) 0.31285(19) 0.0542(8) Uani 1 1 d . . . . .
H3 H 0.7469 -0.3714 0.2908 0.065 Uiso 1 1 calc R U . . .
C4 C 0.9222(5) -0.1827(4) 0.36538(18) 0.0516(8) Uani 1 1 d . . . . .
H4 H 1.0209 -0.2302 0.3793 0.062 Uiso 1 1 calc R U . . .
C5 C 0.9391(4) -0.0301(3) 0.39731(15) 0.0396(6) Uani 1 1 d . . . . .
H5 H 1.0493 0.0280 0.4343 0.047 Uiso 1 1 calc R U . . .
C6 C 0.7948(3) 0.0391(3) 0.37546(14) 0.0301(5) Uani 1 1 d . . . . .
C7 C 0.8124(3) 0.2064(3) 0.40474(14) 0.0290(5) Uani 1 1 d . . . . .
H7A H 0.8985 0.2461 0.4597 0.035 Uiso 1 1 calc R U . . .
H7B H 0.8619 0.2543 0.3652 0.035 Uiso 1 1 calc R U . . .
C8 C 0.5845(4) 0.2067(3) 0.48612(15) 0.0413(7) Uani 1 1 d . . . . .
H8A H 0.5894 0.1013 0.4826 0.062 Uiso 1 1 calc R U . . .
H8B H 0.4611 0.2226 0.4890 0.062 Uiso 1 1 calc R U . . .
H8C H 0.6719 0.2716 0.5361 0.062 Uiso 1 1 calc R U . . .
C9 C 0.6501(3) 0.4076(3) 0.42315(16) 0.0370(6) Uani 1 1 d . . . . .
H9A H 0.5331 0.4359 0.4287 0.055 Uiso 1 1 calc R U . . .
H9B H 0.6856 0.4342 0.3751 0.055 Uiso 1 1 calc R U . . .
H9C H 0.7437 0.4612 0.4736 0.055 Uiso 1 1 calc R U . . .
C10 C 0.2962(3) -0.0852(3) 0.19431(13) 0.0254(5) Uani 1 1 d . . . . .
H10 H 0.2573 -0.1853 0.2041 0.031 Uiso 1 1 calc R U . . .
C11 C 0.1524(3) -0.0092(3) 0.16998(13) 0.0245(5) Uani 1 1 d . . . . .
C12 C 0.0008(3) 0.0208(3) 0.20428(14) 0.0315(6) Uani 1 1 d . . . . .
H12 H -0.0310 -0.0253 0.2453 0.038 Uiso 1 1 calc R U . . .
C13 C -0.1010(3) 0.1192(3) 0.17682(15) 0.0380(7) Uani 1 1 d . . . . .
H13 H -0.2049 0.1378 0.1982 0.046 Uiso 1 1 calc R U . . .
C14 C -0.0512(3) 0.1913(3) 0.11769(15) 0.0348(6) Uani 1 1 d . . . . .
H14 H -0.1180 0.2621 0.1022 0.042 Uiso 1 1 calc R U . . .
C15 C 0.0958(3) 0.1599(3) 0.08136(14) 0.0274(5) Uani 1 1 d . . . . .
H15 H 0.1283 0.2083 0.0413 0.033 Uiso 1 1 calc R U . . .
C16 C 0.1939(3) 0.0552(2) 0.10560(12) 0.0215(4) Uani 1 1 d . . . . .
C17 C 0.3526(3) 0.0035(2) 0.08141(13) 0.0208(4) Uani 1 1 d . . . . .
C18 C 0.4069(3) -0.0818(2) 0.13199(13) 0.0229(4) Uani 1 1 d . . . . .
H18 H 0.5048 -0.1333 0.1276 0.027 Uiso 1 1 calc R U . . .
C19 C 0.4409(3) 0.0523(2) 0.01792(13) 0.0210(4) Uani 1 1 d . . . . .
H19A H 0.5174 0.1542 0.0436 0.025 Uiso 1 1 calc R U . . .
H19B H 0.3447 0.0590 -0.0280 0.025 Uiso 1 1 calc R U . . .
C20 C 0.4336(3) 0.3026(3) 0.22212(14) 0.0294(5) Uani 1 1 d . . . . .
C21 C 0.2173(3) 0.2645(3) 0.33438(15) 0.0352(6) Uani 1 1 d . . . . .
C22 C 0.1743(4) 0.4374(3) 0.24845(18) 0.0436(7) Uani 1 1 d . . . . .
N1 N 0.6317(2) 0.2440(2) 0.41124(11) 0.0278(4) Uani 1 1 d . . . . .
O1 O 0.5781(2) 0.3451(2) 0.21468(11) 0.0368(4) Uani 1 1 d . . . . .
O2 O 0.2153(2) 0.2898(2) 0.40415(11) 0.0476(5) Uani 1 1 d . . . . .
O3 O 0.1652(3) 0.5627(3) 0.26702(17) 0.0700(7) Uani 1 1 d . . . . .
Cr1 Cr 0.19083(4) 0.23896(4) 0.22203(2) 0.02593(9) Uani 1 1 d . . . . .
Pd1 Pd 0.45017(2) 0.08797(2) 0.29874(2) 0.02377(6) Uani 1 1 d . . . . .


_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
C1 C2 1.394(4) . ?
C1 C6 1.400(3) . ?
C1 Pd1 2.020(2) . ?
C2 C3 1.368(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.382(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.378(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.394(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.502(3) . ?
C7 N1 1.485(3) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 N1 1.487(3) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 N1 1.476(3) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.443(3) . ?
C10 C18 1.471(3) . ?
C10 Pd1 2.111(2) . ?
C10 H10 1.0000 . ?
C11 C12 1.418(3) . ?
C11 C16 1.429(3) . ?
C11 Cr1 2.231(2) . ?
C12 C13 1.397(4) . ?
C12 Cr1 2.238(2) . ?
C12 H12 0.9500 . ?
C13 C14 1.412(4) . ?
C13 Cr1 2.236(2) . ?
C13 H13 0.9500 . ?
C14 C15 1.407(3) . ?
C14 Cr1 2.220(2) . ?
C14 H14 0.9500 . ?
C15 C16 1.408(3) . ?
C15 Cr1 2.271(2) . ?
C15 H15 0.9500 . ?
C16 C17 1.456(3) . ?
C16 Cr1 2.2973(19) . ?
C17 C18 1.358(3) . ?
C17 C19 1.494(3) . ?
C18 H18 0.9500 . ?
C19 C19 1.521(4) 2_655 ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 O1 1.151(3) . ?
C20 Cr1 1.853(2) . ?
C20 Pd1 2.647(3) . ?
C21 O2 1.156(3) . ?
C21 Cr1 1.837(3) . ?
C21 Pd1 2.649(2) . ?
C22 O3 1.155(3) . ?
C22 Cr1 1.832(3) . ?
N1 Pd1 2.1915(18) . ?
Cr1 Pd1 2.8925(4) . ?

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
C2 C1 C6 116.6(2) . . ?
C2 C1 Pd1 131.03(19) . . ?
C6 C1 Pd1 112.31(17) . . ?
C3 C2 C1 122.2(3) . . ?
C3 C2 H2 118.9 . . ?
C1 C2 H2 118.9 . . ?
C2 C3 C4 120.5(3) . . ?
C2 C3 H3 119.7 . . ?
C4 C3 H3 119.7 . . ?
C5 C4 C3 119.2(3) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
C4 C5 C6 120.1(3) . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
C5 C6 C1 121.3(2) . . ?
C5 C6 C7 121.6(2) . . ?
C1 C6 C7 117.0(2) . . ?
N1 C7 C6 110.32(19) . . ?
N1 C7 H7A 109.6 . . ?
C6 C7 H7A 109.6 . . ?
N1 C7 H7B 109.6 . . ?
C6 C7 H7B 109.6 . . ?
H7A C7 H7B 108.1 . . ?
N1 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N1 C9 H9A 109.5 . . ?
N1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
N1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 C18 103.86(19) . . ?
C11 C10 Pd1 98.01(14) . . ?
C18 C10 Pd1 103.09(14) . . ?
C11 C10 H10 116.4 . . ?
C18 C10 H10 116.4 . . ?
Pd1 C10 H10 116.4 . . ?
C12 C11 C16 120.0(2) . . ?
C12 C11 C10 131.1(2) . . ?
C16 C11 C10 108.45(18) . . ?
C12 C11 Cr1 71.76(13) . . ?
C16 C11 Cr1 74.13(13) . . ?
C10 C11 Cr1 119.59(14) . . ?
C13 C12 C11 118.9(2) . . ?
C13 C12 Cr1 71.72(15) . . ?
C11 C12 Cr1 71.25(13) . . ?
C13 C12 H12 120.5 . . ?
C11 C12 H12 120.5 . . ?
Cr1 C12 H12 128.7 . . ?
C12 C13 C14 120.8(2) . . ?
C12 C13 Cr1 71.88(13) . . ?
C14 C13 Cr1 70.91(13) . . ?
C12 C13 H13 119.6 . . ?
C14 C13 H13 119.6 . . ?
Cr1 C13 H13 130.2 . . ?
C15 C14 C13 121.1(2) . . ?
C15 C14 Cr1 73.75(13) . . ?
C13 C14 Cr1 72.14(14) . . ?
C15 C14 H14 119.5 . . ?
C13 C14 H14 119.5 . . ?
Cr1 C14 H14 126.6 . . ?
C14 C15 C16 118.6(2) . . ?
C14 C15 Cr1 69.76(13) . . ?
C16 C15 Cr1 73.05(12) . . ?
C14 C15 H15 120.7 . . ?
C16 C15 H15 120.7 . . ?
Cr1 C15 H15 128.6 . . ?
C15 C16 C11 120.34(19) . . ?
C15 C16 C17 131.3(2) . . ?
C11 C16 C17 108.17(19) . . ?
C15 C16 Cr1 71.04(12) . . ?
C11 C16 Cr1 69.10(11) . . ?
C17 C16 Cr1 127.22(14) . . ?
C18 C17 C16 106.72(19) . . ?
C18 C17 C19 129.34(19) . . ?
C16 C17 C19 123.69(19) . . ?
C17 C18 C10 112.05(19) . . ?
C17 C18 H18 124.0 . . ?
C10 C18 H18 124.0 . . ?
C17 C19 C19 113.8(2) . 2_655 ?
C17 C19 H19A 108.8 . . ?
C19 C19 H19A 108.8 2_655 . ?
C17 C19 H19B 108.8 . . ?
C19 C19 H19B 108.8 2_655 . ?
H19A C19 H19B 107.7 . . ?
O1 C20 Cr1 173.1(2) . . ?
O1 C20 Pd1 107.99(17) . . ?
Cr1 C20 Pd1 77.80(9) . . ?
O2 C21 Cr1 171.2(2) . . ?
O2 C21 Pd1 110.73(19) . . ?
Cr1 C21 Pd1 77.99(8) . . ?
O3 C22 Cr1 178.4(3) . . ?
C9 N1 C7 107.70(18) . . ?
C9 N1 C8 108.7(2) . . ?
C7 N1 C8 108.08(19) . . ?
C9 N1 Pd1 119.61(15) . . ?
C7 N1 Pd1 102.35(13) . . ?
C8 N1 Pd1 109.78(15) . . ?
C22 Cr1 C21 83.50(13) . . ?
C22 Cr1 C20 87.37(11) . . ?
C21 Cr1 C20 98.05(10) . . ?
C22 Cr1 C14 89.26(11) . . ?
C21 Cr1 C14 133.00(10) . . ?
C20 Cr1 C14 128.03(11) . . ?
C22 Cr1 C11 167.28(10) . . ?
C21 Cr1 C11 103.87(11) . . ?
C20 Cr1 C11 101.61(9) . . ?
C14 Cr1 C11 78.13(9) . . ?
C22 Cr1 C13 103.06(11) . . ?
C21 Cr1 C13 100.10(10) . . ?
C20 Cr1 C13 159.95(9) . . ?
C14 Cr1 C13 36.95(10) . . ?
C11 Cr1 C13 65.74(9) . . ?
C22 Cr1 C12 135.32(11) . . ?
C21 Cr1 C12 86.99(10) . . ?
C20 Cr1 C12 137.26(9) . . ?
C14 Cr1 C12 66.43(10) . . ?
C11 Cr1 C12 36.99(8) . . ?
C13 Cr1 C12 36.40(10) . . ?
C22 Cr1 C15 104.29(11) . . ?
C21 Cr1 C15 165.09(10) . . ?
C20 Cr1 C15 95.03(9) . . ?
C14 Cr1 C15 36.49(8) . . ?
C11 Cr1 C15 66.29(9) . . ?
C13 Cr1 C15 65.99(9) . . ?
C12 Cr1 C15 78.52(9) . . ?
C22 Cr1 C16 137.59(12) . . ?
C21 Cr1 C16 138.82(11) . . ?
C20 Cr1 C16 84.15(8) . . ?
C14 Cr1 C16 64.78(8) . . ?
C11 Cr1 C16 36.76(8) . . ?
C13 Cr1 C16 76.59(8) . . ?
C12 Cr1 C16 65.87(8) . . ?
C15 Cr1 C16 35.91(8) . . ?
C22 Cr1 Pd1 130.14(9) . . ?
C21 Cr1 Pd1 63.61(8) . . ?
C20 Cr1 Pd1 63.43(8) . . ?
C14 Cr1 Pd1 140.60(7) . . ?
C11 Cr1 Pd1 62.51(6) . . ?
C13 Cr1 Pd1 118.13(8) . . ?
C12 Cr1 Pd1 81.86(7) . . ?
C15 Cr1 Pd1 117.01(6) . . ?
C16 Cr1 Pd1 81.58(5) . . ?
C1 Pd1 C10 90.51(9) . . ?
C1 Pd1 N1 81.50(8) . . ?
C10 Pd1 N1 171.90(8) . . ?
C1 Pd1 C20 135.74(8) . . ?
C10 Pd1 C20 94.52(8) . . ?
N1 Pd1 C20 92.14(7) . . ?
C1 Pd1 C21 155.81(9) . . ?
C10 Pd1 C21 103.70(8) . . ?
N1 Pd1 C21 83.41(7) . . ?
C20 Pd1 C21 63.48(8) . . ?
C1 Pd1 Cr1 165.39(6) . . ?
C10 Pd1 Cr1 77.80(6) . . ?
N1 Pd1 Cr1 110.30(5) . . ?
C20 Pd1 Cr1 38.77(5) . . ?
C21 Pd1 Cr1 38.40(6) . . ?

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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 -1.2(4) . . . . ?
Pd1 C1 C2 C3 177.0(2) . . . . ?
C1 C2 C3 C4 0.8(5) . . . . ?
C2 C3 C4 C5 0.3(5) . . . . ?
C3 C4 C5 C6 -1.1(5) . . . . ?
C4 C5 C6 C1 0.7(4) . . . . ?
C4 C5 C6 C7 -176.1(3) . . . . ?
C2 C1 C6 C5 0.4(4) . . . . ?
Pd1 C1 C6 C5 -178.08(19) . . . . ?
C2 C1 C6 C7 177.4(2) . . . . ?
Pd1 C1 C6 C7 -1.1(3) . . . . ?
C5 C6 C7 N1 -151.5(2) . . . . ?
C1 C6 C7 N1 31.5(3) . . . . ?
C18 C10 C11 C12 178.5(2) . . . . ?
Pd1 C10 C11 C12 -75.8(2) . . . . ?
C18 C10 C11 C16 -8.6(2) . . . . ?
Pd1 C10 C11 C16 97.06(16) . . . . ?
C18 C10 C11 Cr1 -90.46(18) . . . . ?
Pd1 C10 C11 Cr1 15.22(18) . . . . ?
C16 C11 C12 C13 -2.9(3) . . . . ?
C10 C11 C12 C13 169.3(2) . . . . ?
Cr1 C11 C12 C13 55.54(19) . . . . ?
C16 C11 C12 Cr1 -58.45(17) . . . . ?
C10 C11 C12 Cr1 113.7(2) . . . . ?
C11 C12 C13 C14 -1.8(3) . . . . ?
Cr1 C12 C13 C14 53.5(2) . . . . ?
C11 C12 C13 Cr1 -55.31(18) . . . . ?
C12 C13 C14 C15 3.6(3) . . . . ?
Cr1 C13 C14 C15 57.5(2) . . . . ?
C12 C13 C14 Cr1 -53.9(2) . . . . ?
C13 C14 C15 C16 -0.4(3) . . . . ?
Cr1 C14 C15 C16 56.32(18) . . . . ?
C13 C14 C15 Cr1 -56.7(2) . . . . ?
C14 C15 C16 C11 -4.4(3) . . . . ?
Cr1 C15 C16 C11 50.35(17) . . . . ?
C14 C15 C16 C17 -178.0(2) . . . . ?
Cr1 C15 C16 C17 -123.3(2) . . . . ?
C14 C15 C16 Cr1 -54.71(18) . . . . ?
C12 C11 C16 C15 6.1(3) . . . . ?
C10 C11 C16 C15 -167.72(18) . . . . ?
Cr1 C11 C16 C15 -51.22(17) . . . . ?
C12 C11 C16 C17 -178.92(18) . . . . ?
C10 C11 C16 C17 7.3(2) . . . . ?
Cr1 C11 C16 C17 123.80(15) . . . . ?
C12 C11 C16 Cr1 57.29(17) . . . . ?
C10 C11 C16 Cr1 -116.51(16) . . . . ?
C15 C16 C17 C18 171.6(2) . . . . ?
C11 C16 C17 C18 -2.7(2) . . . . ?
Cr1 C16 C17 C18 74.5(2) . . . . ?
C15 C16 C17 C19 -3.2(3) . . . . ?
C11 C16 C17 C19 -177.45(18) . . . . ?
Cr1 C16 C17 C19 -100.3(2) . . . . ?
C16 C17 C18 C10 -3.0(2) . . . . ?
C19 C17 C18 C10 171.4(2) . . . . ?
C11 C10 C18 C17 7.3(2) . . . . ?
Pd1 C10 C18 C17 -94.53(18) . . . . ?
C18 C17 C19 C19 26.0(3) . . . 2_655 ?
C16 C17 C19 C19 -160.5(2) . . . 2_655 ?
C6 C7 N1 C9 -168.54(19) . . . . ?
C6 C7 N1 C8 74.2(2) . . . . ?
C6 C7 N1 Pd1 -41.6(2) . . . . ?
Pd1 C21 Cr1 C22 -141.33(10) . . . . ?
Pd1 C21 Cr1 C20 -54.93(9) . . . . ?
Pd1 C21 Cr1 C14 135.79(12) . . . . ?
Pd1 C21 Cr1 C11 49.21(8) . . . . ?
Pd1 C21 Cr1 C13 116.50(8) . . . . ?
Pd1 C21 Cr1 C12 82.40(8) . . . . ?
Pd1 C21 Cr1 C15 96.1(4) . . . . ?
Pd1 C21 Cr1 C16 35.37(14) . . . . ?
Pd1 C20 Cr1 C22 138.12(10) . . . . ?
Pd1 C20 Cr1 C21 55.06(10) . . . . ?
Pd1 C20 Cr1 C14 -134.89(10) . . . . ?
Pd1 C20 Cr1 C11 -50.97(7) . . . . ?
Pd1 C20 Cr1 C13 -99.6(3) . . . . ?
Pd1 C20 Cr1 C12 -39.24(14) . . . . ?
Pd1 C20 Cr1 C15 -117.76(7) . . . . ?
Pd1 C20 Cr1 C16 -83.49(7) . . . . ?

_refine_diff_density_max         0.955
_refine_diff_density_min         -0.495
_refine_diff_density_rms         0.087

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 0.030 0.500 1.000 189.8 35.1
2 0.028 0.521 0.405 7.0 0.3
3 0.972 0.479 0.595 7.0 0.3
_platon_squeeze_details          
;
 The residual electron density was assigned to half a molecule of the
 thf solvent [36/2 = 18 e per asymmetric unit; half a molecule of
 C4H8O would give 20e].
;

_shelxl_version_number           2013-4

_chemical_properties_physical    
'Air-sensitive, Heat-sensitive, Light-sensitive'
####################################################################### 
# 
# 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_3c
_database_code_depnum_ccdc_archive 'CCDC 1425363'
_audit_update_record             
;
2015-09-17 deposited with the CCDC.
2015-11-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H19 Cr2 N O6 Pd'
_chemical_formula_sum            'C30 H19 Cr2 N O6 Pd'
_chemical_formula_weight         699.86

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'
Cr Cr 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'

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

_cell_length_a                   9.0689(10)
_cell_length_b                   20.282(3)
_cell_length_c                   14.2127(16)
_cell_angle_alpha                90.00
_cell_angle_beta                 105.006(7)
_cell_angle_gamma                90.00
_cell_volume                     2525.1(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    103914
_cell_measurement_theta_min      0.998
_cell_measurement_theta_max      27.485

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.841
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1392
_exptl_absorpt_coefficient_mu    1.599
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.71044
_exptl_absorpt_correction_T_max  0.95977
_exptl_absorpt_process_details   'MULscanABS in PLATON (Spek, 2003)'

_exptl_special_details           ?

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            12666
_diffrn_reflns_av_R_equivalents  0.0968
_diffrn_reflns_av_sigmaI/netI    0.1579
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.79
_diffrn_reflns_theta_max         27.41
_reflns_number_total             5510
_reflns_number_gt                2477
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'Collect (Nonius B.V., 1998)'
_computing_cell_refinement       'Denzo (Nonius B.V., 1998)'
_computing_data_reduction        'Denzo (Nonius B.V., 1998)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'PLATON 98 (Spek, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'

_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 > 2σ(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.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0987P)²+3.3760P] where P=(Fo²+2Fc²)/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         5510
_refine_ls_number_parameters     361
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1935
_refine_ls_R_factor_gt           0.0752
_refine_ls_wR_factor_ref         0.2241
_refine_ls_wR_factor_gt          0.1673
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_restrained_S_all      1.026
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.1794(12) -0.0044(5) 0.7622(8) 0.052(3) Uani 1 1 d . . .
H1 H 0.1738 -0.0042 0.6945 0.063 Uiso 1 1 calc R . .
C2 C 0.0867(12) -0.0481(5) 0.7943(8) 0.058(3) Uani 1 1 d . . .
H2 H 0.0161 -0.0751 0.7495 0.070 Uiso 1 1 calc R . .
C3 C 0.0986(14) -0.0517(6) 0.8928(8) 0.066(3) Uani 1 1 d . . .
H3 H 0.0404 -0.0833 0.9172 0.080 Uiso 1 1 calc R . .
C4 C 0.1978(12) -0.0084(5) 0.9573(7) 0.050(3) Uani 1 1 d . . .
C5 C 0.2863(10) 0.0348(5) 0.9160(6) 0.040(2) Uani 1 1 d . . .
C6 C 0.3837(12) 0.0809(5) 0.9755(7) 0.046(3) Uani 1 1 d . . .
C7 C 0.3919(12) 0.0805(5) 1.0745(7) 0.055(3) Uani 1 1 d . . .
H7 H 0.4565 0.1112 1.1162 0.066 Uiso 1 1 calc R . .
C8 C 0.3075(14) 0.0363(7) 1.1136(8) 0.073(4) Uani 1 1 d . . .
H8 H 0.3194 0.0357 1.1820 0.088 Uiso 1 1 calc R . .
C9 C 0.2097(13) -0.0057(6) 1.0571(8) 0.066(3) Uani 1 1 d . . .
H9 H 0.1483 -0.0337 1.0849 0.079 Uiso 1 1 calc R . .
C10 C 0.4753(12) 0.1240(5) 0.9297(7) 0.060(3) Uani 1 1 d . . .
H10A H 0.5849 0.1133 0.9552 0.072 Uiso 1 1 calc R . .
H10B H 0.4601 0.1706 0.9460 0.072 Uiso 1 1 calc R . .
C11 C 0.5457(9) 0.1922(5) 0.7706(7) 0.040(2) Uani 1 1 d . . .
H11 H 0.4987 0.2342 0.7858 0.048 Uiso 1 1 calc R . .
C12 C 0.5249(10) 0.1845(5) 0.6668(7) 0.043(2) Uani 1 1 d . . .
C13 C 0.3951(10) 0.2155(5) 0.5968(7) 0.043(2) Uani 1 1 d . . .
H13 H 0.3290 0.2442 0.6194 0.052 Uiso 1 1 calc R . .
C14 C 0.3685(11) 0.2030(5) 0.4974(7) 0.051(3) Uani 1 1 d . . .
H14 H 0.2861 0.2244 0.4530 0.061 Uiso 1 1 calc R . .
C15 C 0.4594(11) 0.1601(5) 0.4623(7) 0.049(3) Uani 1 1 d . . .
H15 H 0.4366 0.1502 0.3948 0.059 Uiso 1 1 calc R . .
C16 C 0.5867(11) 0.1310(5) 0.5278(7) 0.044(2) Uani 1 1 d . . .
H16 H 0.6510 0.1026 0.5030 0.053 Uiso 1 1 calc R . .
C17 C 0.6215(10) 0.1429(5) 0.6290(7) 0.041(2) Uani 1 1 d . . .
C18 C 0.7552(10) 0.1117(4) 0.6967(7) 0.040(2) Uani 1 1 d . . .
H18A H 0.8384 0.1073 0.6637 0.048 Uiso 1 1 calc R . .
H18B H 0.7268 0.0668 0.7130 0.048 Uiso 1 1 calc R . .
C19 C 0.8136(10) 0.1509(4) 0.7906(6) 0.039(2) Uani 1 1 d . . .
C20 C 0.9674(11) 0.1472(5) 0.8413(7) 0.045(2) Uani 1 1 d . . .
H20 H 1.0374 0.1238 0.8142 0.054 Uiso 1 1 calc R . .
C21 C 1.0188(11) 0.1785(5) 0.9331(7) 0.049(3) Uani 1 1 d . . .
H21 H 1.1231 0.1760 0.9682 0.059 Uiso 1 1 calc R . .
C22 C 0.9157(11) 0.2124(5) 0.9708(7) 0.048(3) Uani 1 1 d . . .
H22 H 0.9491 0.2328 1.0328 0.058 Uiso 1 1 calc R . .
C23 C 0.7645(10) 0.2173(5) 0.9196(6) 0.041(2) Uani 1 1 d . . .
H23 H 0.6968 0.2427 0.9459 0.049 Uiso 1 1 calc R . .
C24 C 0.7085(10) 0.1858(5) 0.8302(7) 0.042(2) Uani 1 1 d . . .
C25 C 0.4362(12) 0.0280(6) 0.6356(7) 0.051(3) Uani 1 1 d . . .
C26 C 0.2002(11) 0.1190(5) 0.6157(7) 0.049(3) Uani 1 1 d . . .
C27 C 0.2593(12) 0.0559(5) 0.4732(8) 0.052(3) Uani 1 1 d . . .
C28 C 0.9045(11) 0.3371(6) 0.8802(7) 0.050(3) Uani 1 1 d . . .
C29 C 0.7880(11) 0.2889(5) 0.7106(7) 0.048(3) Uani 1 1 d . . .
C30 C 1.0753(12) 0.2747(5) 0.7803(7) 0.046(2) Uani 1 1 d . . .
N1 N 0.2752(9) 0.0370(4) 0.8180(6) 0.044(2) Uani 1 1 d . . .
O1 O 0.4719(8) -0.0244(4) 0.6633(5) 0.0506(18) Uani 1 1 d . . .
O2 O 0.0844(8) 0.1308(4) 0.6324(5) 0.0597(19) Uani 1 1 d . . .
O3 O 0.1878(9) 0.0240(4) 0.4136(5) 0.069(2) Uani 1 1 d . . .
O4 O 0.8985(9) 0.3873(4) 0.9160(5) 0.060(2) Uani 1 1 d . . .
O5 O 0.7156(9) 0.3112(4) 0.6393(5) 0.066(2) Uani 1 1 d . . .
O6 O 1.1739(8) 0.2896(4) 0.7484(5) 0.067(2) Uani 1 1 d . . .
Cr1 Cr 0.37508(16) 0.10825(7) 0.57463(10) 0.0385(4) Uani 1 1 d . . .
Cr2 Cr 0.90584(16) 0.25397(8) 0.82530(10) 0.0404(4) Uani 1 1 d . . .
Pd1 Pd 0.41300(8) 0.11202(4) 0.78263(5) 0.0436(3) Uani 1 1 d . . .


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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
C1 N1 1.316(12) . ?
C1 C2 1.378(14) . ?
C1 H1 0.9500 . ?
C2 C3 1.378(15) . ?
C2 H2 0.9500 . ?
C3 C4 1.413(15) . ?
C3 H3 0.9500 . ?
C4 C9 1.395(14) . ?
C4 C5 1.414(13) . ?
C5 N1 1.370(11) . ?
C5 C6 1.408(13) . ?
C6 C7 1.390(13) . ?
C6 C10 1.469(14) . ?
C7 C8 1.386(15) . ?
C7 H7 0.9500 . ?
C8 C9 1.337(15) . ?
C8 H8 0.9500 . ?
C9 H9 0.9500 . ?
C10 Pd1 2.034(9) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.447(13) . ?
C11 C24 1.505(12) . ?
C11 Pd1 2.057(9) . ?
C11 H11 1.0000 . ?
C12 C17 1.418(12) . ?
C12 C13 1.471(13) . ?
C12 Cr1 2.243(9) . ?
C12 Pd1 2.602(10) . ?
C13 C14 1.393(13) . ?
C13 Cr1 2.199(9) . ?
C13 H13 0.9500 . ?
C14 C15 1.378(13) . ?
C14 Cr1 2.206(10) . ?
C14 H14 0.9500 . ?
C15 C16 1.410(12) . ?
C15 Cr1 2.207(9) . ?
C15 H15 0.9500 . ?
C16 C17 1.411(12) . ?
C16 Cr1 2.237(9) . ?
C16 H16 0.9500 . ?
C17 C18 1.481(12) . ?
C17 Cr1 2.279(9) . ?
C18 C19 1.527(12) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.396(12) . ?
C19 C24 1.415(12) . ?
C19 Cr2 2.258(9) . ?
C20 C21 1.417(12) . ?
C20 Cr2 2.233(10) . ?
C20 H20 0.9500 . ?
C21 C22 1.377(13) . ?
C21 Cr2 2.220(10) . ?
C21 H21 0.9500 . ?
C22 C23 1.379(12) . ?
C22 Cr2 2.213(9) . ?
C22 H22 0.9500 . ?
C23 C24 1.395(12) . ?
C23 Cr2 2.209(9) . ?
C23 H23 0.9500 . ?
C24 Cr2 2.278(9) . ?
C25 O1 1.149(12) . ?
C25 Cr1 1.860(13) . ?
C26 O2 1.160(11) . ?
C26 Cr1 1.839(10) . ?
C26 Pd1 2.646(10) . ?
C27 O3 1.127(11) . ?
C27 Cr1 1.877(12) . ?
C28 O4 1.145(11) . ?
C28 Cr2 1.860(12) . ?
C29 O5 1.148(11) . ?
C29 Cr2 1.843(10) . ?
C30 O6 1.143(11) . ?
C30 Cr2 1.860(12) . ?
N1 Pd1 2.111(8) . ?
Cr1 Pd1 2.8874(16) . ?

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
N1 C1 C2 125.0(10) . . ?
N1 C1 H1 117.5 . . ?
C2 C1 H1 117.5 . . ?
C1 C2 C3 118.5(10) . . ?
C1 C2 H2 120.8 . . ?
C3 C2 H2 120.8 . . ?
C2 C3 C4 119.7(11) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C9 C4 C3 123.5(10) . . ?
C9 C4 C5 119.7(10) . . ?
C3 C4 C5 116.8(9) . . ?
N1 C5 C6 117.3(9) . . ?
N1 C5 C4 122.8(9) . . ?
C6 C5 C4 119.8(9) . . ?
C7 C6 C5 117.7(10) . . ?
C7 C6 C10 124.3(10) . . ?
C5 C6 C10 117.9(8) . . ?
C8 C7 C6 121.2(10) . . ?
C8 C7 H7 119.4 . . ?
C6 C7 H7 119.4 . . ?
C9 C8 C7 121.4(11) . . ?
C9 C8 H8 119.3 . . ?
C7 C8 H8 119.3 . . ?
C8 C9 C4 120.0(11) . . ?
C8 C9 H9 120.0 . . ?
C4 C9 H9 120.0 . . ?
C6 C10 Pd1 110.2(7) . . ?
C6 C10 H10A 109.6 . . ?
Pd1 C10 H10A 109.6 . . ?
C6 C10 H10B 109.6 . . ?
Pd1 C10 H10B 109.6 . . ?
H10A C10 H10B 108.1 . . ?
C12 C11 C24 114.5(8) . . ?
C12 C11 Pd1 94.3(6) . . ?
C24 C11 Pd1 113.2(6) . . ?
C12 C11 H11 111.3 . . ?
C24 C11 H11 111.3 . . ?
Pd1 C11 H11 111.3 . . ?
C17 C12 C11 121.4(9) . . ?
C17 C12 C13 117.5(8) . . ?
C11 C12 C13 120.9(8) . . ?
C17 C12 Cr1 73.1(5) . . ?
C11 C12 Cr1 124.7(6) . . ?
C13 C12 Cr1 69.0(5) . . ?
C17 C12 Pd1 106.5(6) . . ?
C11 C12 Pd1 52.0(5) . . ?
C13 C12 Pd1 107.1(6) . . ?
Cr1 C12 Pd1 72.7(3) . . ?
C14 C13 C12 120.4(9) . . ?
C14 C13 Cr1 71.8(6) . . ?
C12 C13 Cr1 72.3(5) . . ?
C14 C13 H13 119.8 . . ?
C12 C13 H13 119.8 . . ?
Cr1 C13 H13 128.3 . . ?
C15 C14 C13 121.3(9) . . ?
C15 C14 Cr1 71.8(6) . . ?
C13 C14 Cr1 71.3(6) . . ?
C15 C14 H14 119.4 . . ?
C13 C14 H14 119.4 . . ?
Cr1 C14 H14 130.2 . . ?
C14 C15 C16 119.3(9) . . ?
C14 C15 Cr1 71.8(6) . . ?
C16 C15 Cr1 72.7(5) . . ?
C14 C15 H15 120.3 . . ?
C16 C15 H15 120.3 . . ?
Cr1 C15 H15 127.2 . . ?
C15 C16 C17 122.0(9) . . ?
C15 C16 Cr1 70.3(5) . . ?
C17 C16 Cr1 73.4(5) . . ?
C15 C16 H16 119.0 . . ?
C17 C16 H16 119.0 . . ?
Cr1 C16 H16 129.9 . . ?
C16 C17 C12 119.4(9) . . ?
C16 C17 C18 121.2(8) . . ?
C12 C17 C18 119.4(8) . . ?
C16 C17 Cr1 70.2(5) . . ?
C12 C17 Cr1 70.4(5) . . ?
C18 C17 Cr1 130.9(6) . . ?
C17 C18 C19 112.6(8) . . ?
C17 C18 H18A 109.1 . . ?
C19 C18 H18A 109.1 . . ?
C17 C18 H18B 109.1 . . ?
C19 C18 H18B 109.1 . . ?
H18A C18 H18B 107.8 . . ?
C20 C19 C24 120.5(8) . . ?
C20 C19 C18 119.8(8) . . ?
C24 C19 C18 119.5(8) . . ?
C20 C19 Cr2 70.9(5) . . ?
C24 C19 Cr2 72.6(5) . . ?
C18 C19 Cr2 134.3(6) . . ?
C19 C20 C21 119.8(9) . . ?
C19 C20 Cr2 72.9(5) . . ?
C21 C20 Cr2 71.0(6) . . ?
C19 C20 H20 120.1 . . ?
C21 C20 H20 120.1 . . ?
Cr2 C20 H20 128.3 . . ?
C22 C21 C20 119.2(9) . . ?
C22 C21 Cr2 71.6(6) . . ?
C20 C21 Cr2 71.9(5) . . ?
C22 C21 H21 120.4 . . ?
C20 C21 H21 120.4 . . ?
Cr2 C21 H21 128.2 . . ?
C21 C22 C23 120.9(9) . . ?
C21 C22 Cr2 72.2(6) . . ?
C23 C22 Cr2 71.7(5) . . ?
C21 C22 H22 119.6 . . ?
C23 C22 H22 119.6 . . ?
Cr2 C22 H22 128.9 . . ?
C22 C23 C24 121.7(9) . . ?
C22 C23 Cr2 72.0(5) . . ?
C24 C23 Cr2 74.6(5) . . ?
C22 C23 H23 119.1 . . ?
C24 C23 H23 119.1 . . ?
Cr2 C23 H23 126.2 . . ?
C23 C24 C19 117.8(8) . . ?
C23 C24 C11 123.1(9) . . ?
C19 C24 C11 118.9(8) . . ?
C23 C24 Cr2 69.2(5) . . ?
C19 C24 Cr2 71.1(5) . . ?
C11 C24 Cr2 126.4(6) . . ?
O1 C25 Cr1 172.6(9) . . ?
O2 C26 Cr1 171.9(9) . . ?
O2 C26 Pd1 108.5(7) . . ?
Cr1 C26 Pd1 77.9(3) . . ?
O3 C27 Cr1 178.5(10) . . ?
O4 C28 Cr2 176.7(9) . . ?
O5 C29 Cr2 179.3(10) . . ?
O6 C30 Cr2 176.0(9) . . ?
C1 N1 C5 117.1(8) . . ?
C1 N1 Pd1 130.9(7) . . ?
C5 N1 Pd1 111.9(6) . . ?
C26 Cr1 C25 97.7(5) . . ?
C26 Cr1 C27 87.4(4) . . ?
C25 Cr1 C27 84.4(4) . . ?
C26 Cr1 C13 83.3(4) . . ?
C25 Cr1 C13 142.7(4) . . ?
C27 Cr1 C13 132.7(4) . . ?
C26 Cr1 C14 98.0(4) . . ?
C25 Cr1 C14 163.9(4) . . ?
C27 Cr1 C14 100.0(4) . . ?
C13 Cr1 C14 36.9(3) . . ?
C26 Cr1 C15 131.4(4) . . ?
C25 Cr1 C15 129.5(4) . . ?
C27 Cr1 C15 86.8(4) . . ?
C13 Cr1 C15 66.5(4) . . ?
C14 Cr1 C15 36.4(3) . . ?
C26 Cr1 C16 161.2(4) . . ?
C25 Cr1 C16 98.3(4) . . ?
C27 Cr1 C16 103.9(4) . . ?
C13 Cr1 C16 78.0(4) . . ?
C14 Cr1 C16 65.6(4) . . ?
C15 Cr1 C16 37.0(3) . . ?
C26 Cr1 C12 100.0(4) . . ?
C25 Cr1 C12 105.6(4) . . ?
C27 Cr1 C12 166.4(4) . . ?
C13 Cr1 C12 38.7(3) . . ?
C14 Cr1 C12 67.9(4) . . ?
C15 Cr1 C12 79.8(4) . . ?
C16 Cr1 C12 66.1(3) . . ?
C26 Cr1 C17 134.9(4) . . ?
C25 Cr1 C17 88.0(4) . . ?
C27 Cr1 C17 137.7(4) . . ?
C13 Cr1 C17 67.0(3) . . ?
C14 Cr1 C17 78.3(4) . . ?
C15 Cr1 C17 66.7(3) . . ?
C16 Cr1 C17 36.4(3) . . ?
C12 Cr1 C17 36.5(3) . . ?
C26 Cr1 Pd1 63.6(3) . . ?
C25 Cr1 Pd1 66.7(3) . . ?
C27 Cr1 Pd1 134.1(3) . . ?
C13 Cr1 Pd1 81.0(3) . . ?
C14 Cr1 Pd1 117.8(3) . . ?
C15 Cr1 Pd1 139.1(3) . . ?
C16 Cr1 Pd1 114.5(2) . . ?
C12 Cr1 Pd1 59.4(3) . . ?
C17 Cr1 Pd1 78.4(2) . . ?
C29 Cr2 C30 87.2(4) . . ?
C29 Cr2 C28 87.5(4) . . ?
C30 Cr2 C28 92.0(4) . . ?
C29 Cr2 C23 111.8(4) . . ?
C30 Cr2 C23 161.0(4) . . ?
C28 Cr2 C23 89.1(4) . . ?
C29 Cr2 C22 147.8(4) . . ?
C30 Cr2 C22 124.8(4) . . ?
C28 Cr2 C22 87.5(4) . . ?
C23 Cr2 C22 36.3(3) . . ?
C29 Cr2 C21 159.0(4) . . ?
C30 Cr2 C21 96.8(4) . . ?
C28 Cr2 C21 112.8(4) . . ?
C23 Cr2 C21 65.5(4) . . ?
C22 Cr2 C21 36.2(3) . . ?
C29 Cr2 C20 122.3(4) . . ?
C30 Cr2 C20 92.7(4) . . ?
C28 Cr2 C20 149.9(4) . . ?
C23 Cr2 C20 77.3(4) . . ?
C22 Cr2 C20 65.6(4) . . ?
C21 Cr2 C20 37.1(3) . . ?
C29 Cr2 C19 93.8(4) . . ?
C30 Cr2 C19 115.3(4) . . ?
C28 Cr2 C19 152.7(4) . . ?
C23 Cr2 C19 65.2(3) . . ?
C22 Cr2 C19 77.0(3) . . ?
C21 Cr2 C19 65.8(3) . . ?
C20 Cr2 C19 36.2(3) . . ?
C29 Cr2 C24 88.9(4) . . ?
C30 Cr2 C24 150.9(4) . . ?
C28 Cr2 C24 116.6(4) . . ?
C23 Cr2 C24 36.2(3) . . ?
C22 Cr2 C24 65.3(3) . . ?
C21 Cr2 C24 77.6(3) . . ?
C20 Cr2 C24 65.5(3) . . ?
C19 Cr2 C24 36.4(3) . . ?
C10 Pd1 C11 88.7(4) . . ?
C10 Pd1 N1 82.3(4) . . ?
C11 Pd1 N1 170.1(3) . . ?
C10 Pd1 C12 122.2(4) . . ?
C11 Pd1 C12 33.7(3) . . ?
N1 Pd1 C12 155.5(3) . . ?
C10 Pd1 C26 149.2(4) . . ?
C11 Pd1 C26 100.9(3) . . ?
N1 Pd1 C26 85.0(3) . . ?
C12 Pd1 C26 73.5(3) . . ?
C10 Pd1 Cr1 169.5(3) . . ?
C11 Pd1 Cr1 81.5(3) . . ?
N1 Pd1 Cr1 107.7(2) . . ?
C12 Pd1 Cr1 47.9(2) . . ?
C26 Pd1 Cr1 38.5(2) . . ?

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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C1 C2 C3 -3.3(17) . . . . ?
C1 C2 C3 C4 3.7(16) . . . . ?
C2 C3 C4 C9 175.7(10) . . . . ?
C2 C3 C4 C5 -3.1(16) . . . . ?
C9 C4 C5 N1 -176.9(9) . . . . ?
C3 C4 C5 N1 2.0(14) . . . . ?
C9 C4 C5 C6 -1.1(14) . . . . ?
C3 C4 C5 C6 177.8(9) . . . . ?
N1 C5 C6 C7 177.9(8) . . . . ?
C4 C5 C6 C7 1.8(14) . . . . ?
N1 C5 C6 C10 -4.9(13) . . . . ?
C4 C5 C6 C10 179.0(9) . . . . ?
C5 C6 C7 C8 0.2(15) . . . . ?
C10 C6 C7 C8 -176.8(10) . . . . ?
C6 C7 C8 C9 -3.2(18) . . . . ?
C7 C8 C9 C4 4.0(19) . . . . ?
C3 C4 C9 C8 179.3(12) . . . . ?
C5 C4 C9 C8 -1.8(17) . . . . ?
C7 C6 C10 Pd1 -175.7(8) . . . . ?
C5 C6 C10 Pd1 7.3(11) . . . . ?
C24 C11 C12 C17 30.9(12) . . . . ?
Pd1 C11 C12 C17 -86.9(8) . . . . ?
C24 C11 C12 C13 -153.9(8) . . . . ?
Pd1 C11 C12 C13 88.2(8) . . . . ?
C24 C11 C12 Cr1 121.4(8) . . . . ?
Pd1 C11 C12 Cr1 3.5(8) . . . . ?
C24 C11 C12 Pd1 117.9(9) . . . . ?
C17 C12 C13 C14 1.0(13) . . . . ?
C11 C12 C13 C14 -174.3(9) . . . . ?
Cr1 C12 C13 C14 -55.5(8) . . . . ?
Pd1 C12 C13 C14 -118.7(8) . . . . ?
C17 C12 C13 Cr1 56.5(7) . . . . ?
C11 C12 C13 Cr1 -118.8(8) . . . . ?
Pd1 C12 C13 Cr1 -63.2(4) . . . . ?
C12 C13 C14 C15 1.9(15) . . . . ?
Cr1 C13 C14 C15 -53.8(9) . . . . ?
C12 C13 C14 Cr1 55.7(8) . . . . ?
C13 C14 C15 C16 -3.4(15) . . . . ?
Cr1 C14 C15 C16 -57.0(8) . . . . ?
C13 C14 C15 Cr1 53.5(9) . . . . ?
C14 C15 C16 C17 2.0(14) . . . . ?
Cr1 C15 C16 C17 -54.5(8) . . . . ?
C14 C15 C16 Cr1 56.5(8) . . . . ?
C15 C16 C17 C12 1.0(14) . . . . ?
Cr1 C16 C17 C12 -52.2(8) . . . . ?
C15 C16 C17 C18 179.6(8) . . . . ?
Cr1 C16 C17 C18 126.5(8) . . . . ?
C15 C16 C17 Cr1 53.2(8) . . . . ?
C11 C12 C17 C16 172.9(8) . . . . ?
C13 C12 C17 C16 -2.4(13) . . . . ?
Cr1 C12 C17 C16 52.1(8) . . . . ?
Pd1 C12 C17 C16 117.7(8) . . . . ?
C11 C12 C17 C18 -5.8(13) . . . . ?
C13 C12 C17 C18 178.9(8) . . . . ?
Cr1 C12 C17 C18 -126.6(8) . . . . ?
Pd1 C12 C17 C18 -61.0(9) . . . . ?
C11 C12 C17 Cr1 120.8(9) . . . . ?
C13 C12 C17 Cr1 -54.5(7) . . . . ?
Pd1 C12 C17 Cr1 65.6(3) . . . . ?
C16 C17 C18 C19 155.2(8) . . . . ?
C12 C17 C18 C19 -26.1(12) . . . . ?
Cr1 C17 C18 C19 -114.8(8) . . . . ?
C17 C18 C19 C20 -152.0(8) . . . . ?
C17 C18 C19 C24 33.9(12) . . . . ?
C17 C18 C19 Cr2 -60.2(11) . . . . ?
C24 C19 C20 C21 0.1(13) . . . . ?
C18 C19 C20 C21 -174.0(8) . . . . ?
Cr2 C19 C20 C21 55.2(8) . . . . ?
C24 C19 C20 Cr2 -55.2(8) . . . . ?
C18 C19 C20 Cr2 130.8(8) . . . . ?
C19 C20 C21 C22 -0.3(14) . . . . ?
Cr2 C20 C21 C22 55.8(8) . . . . ?
C19 C20 C21 Cr2 -56.1(8) . . . . ?
C20 C21 C22 C23 -1.1(14) . . . . ?
Cr2 C21 C22 C23 54.8(8) . . . . ?
C20 C21 C22 Cr2 -56.0(8) . . . . ?
C21 C22 C23 C24 2.9(14) . . . . ?
Cr2 C22 C23 C24 58.0(8) . . . . ?
C21 C22 C23 Cr2 -55.0(8) . . . . ?
C22 C23 C24 C19 -3.1(14) . . . . ?
Cr2 C23 C24 C19 53.7(8) . . . . ?
C22 C23 C24 C11 -177.5(9) . . . . ?
Cr2 C23 C24 C11 -120.7(9) . . . . ?
C22 C23 C24 Cr2 -56.8(8) . . . . ?
C20 C19 C24 C23 1.6(13) . . . . ?
C18 C19 C24 C23 175.6(8) . . . . ?
Cr2 C19 C24 C23 -52.8(8) . . . . ?
C20 C19 C24 C11 176.2(8) . . . . ?
C18 C19 C24 C11 -9.8(13) . . . . ?
Cr2 C19 C24 C11 121.8(8) . . . . ?
C20 C19 C24 Cr2 54.4(8) . . . . ?
C18 C19 C24 Cr2 -131.6(8) . . . . ?
C12 C11 C24 C23 151.9(9) . . . . ?
Pd1 C11 C24 C23 -101.6(9) . . . . ?
C12 C11 C24 C19 -22.4(12) . . . . ?
Pd1 C11 C24 C19 84.1(9) . . . . ?
C12 C11 C24 Cr2 64.5(11) . . . . ?
Pd1 C11 C24 Cr2 171.0(5) . . . . ?
C2 C1 N1 C5 2.1(15) . . . . ?
C2 C1 N1 Pd1 -174.6(8) . . . . ?
C6 C5 N1 C1 -177.4(9) . . . . ?
C4 C5 N1 C1 -1.4(13) . . . . ?
C6 C5 N1 Pd1 0.0(10) . . . . ?
C4 C5 N1 Pd1 175.9(7) . . . . ?
Pd1 C26 Cr1 C25 59.1(4) . . . . ?
Pd1 C26 Cr1 C27 143.1(4) . . . . ?
Pd1 C26 Cr1 C13 -83.3(3) . . . . ?
Pd1 C26 Cr1 C14 -117.2(3) . . . . ?
Pd1 C26 Cr1 C15 -133.5(4) . . . . ?
Pd1 C26 Cr1 C16 -88.9(12) . . . . ?
Pd1 C26 Cr1 C12 -48.3(3) . . . . ?
Pd1 C26 Cr1 C17 -35.7(6) . . . . ?
C14 C13 Cr1 C26 -113.1(6) . . . . ?
C12 C13 Cr1 C26 115.3(6) . . . . ?
C14 C13 Cr1 C25 153.1(7) . . . . ?
C12 C13 Cr1 C25 21.5(9) . . . . ?
C14 C13 Cr1 C27 -33.0(8) . . . . ?
C12 C13 Cr1 C27 -164.5(6) . . . . ?
C12 C13 Cr1 C14 -131.6(8) . . . . ?
C14 C13 Cr1 C15 28.0(6) . . . . ?
C12 C13 Cr1 C15 -103.6(6) . . . . ?
C14 C13 Cr1 C16 65.1(6) . . . . ?
C12 C13 Cr1 C16 -66.5(5) . . . . ?
C14 C13 Cr1 C12 131.6(8) . . . . ?
C14 C13 Cr1 C17 101.6(6) . . . . ?
C12 C13 Cr1 C17 -30.0(5) . . . . ?
C14 C13 Cr1 Pd1 -177.3(6) . . . . ?
C12 C13 Cr1 Pd1 51.1(5) . . . . ?
C15 C14 Cr1 C26 -159.2(6) . . . . ?
C13 C14 Cr1 C26 67.3(6) . . . . ?
C15 C14 Cr1 C25 34.1(17) . . . . ?
C13 C14 Cr1 C25 -99.4(15) . . . . ?
C15 C14 Cr1 C27 -70.5(6) . . . . ?
C13 C14 Cr1 C27 156.1(6) . . . . ?
C15 C14 Cr1 C13 133.5(9) . . . . ?
C13 C14 Cr1 C15 -133.5(9) . . . . ?
C15 C14 Cr1 C16 30.4(6) . . . . ?
C13 C14 Cr1 C16 -103.0(6) . . . . ?
C15 C14 Cr1 C12 103.2(6) . . . . ?
C13 C14 Cr1 C12 -30.3(5) . . . . ?
C15 C14 Cr1 C17 66.4(6) . . . . ?
C13 C14 Cr1 C17 -67.0(6) . . . . ?
C15 C14 Cr1 Pd1 136.4(5) . . . . ?
C13 C14 Cr1 Pd1 3.0(7) . . . . ?
C14 C15 Cr1 C26 28.0(8) . . . . ?
C16 C15 Cr1 C26 158.0(6) . . . . ?
C14 C15 Cr1 C25 -168.3(6) . . . . ?
C16 C15 Cr1 C25 -38.3(8) . . . . ?
C14 C15 Cr1 C27 111.6(6) . . . . ?
C16 C15 Cr1 C27 -118.4(6) . . . . ?
C14 C15 Cr1 C13 -28.4(6) . . . . ?
C16 C15 Cr1 C13 101.7(6) . . . . ?
C16 C15 Cr1 C14 130.0(9) . . . . ?
C14 C15 Cr1 C16 -130.0(9) . . . . ?
C14 C15 Cr1 C12 -66.5(6) . . . . ?
C16 C15 Cr1 C12 63.5(6) . . . . ?
C14 C15 Cr1 C17 -102.2(6) . . . . ?
C16 C15 Cr1 C17 27.8(6) . . . . ?
C14 C15 Cr1 Pd1 -68.6(7) . . . . ?
C16 C15 Cr1 Pd1 61.4(7) . . . . ?
C15 C16 Cr1 C26 -60.9(14) . . . . ?
C17 C16 Cr1 C26 73.0(13) . . . . ?
C15 C16 Cr1 C25 151.1(6) . . . . ?
C17 C16 Cr1 C25 -75.1(6) . . . . ?
C15 C16 Cr1 C27 64.8(7) . . . . ?
C17 C16 Cr1 C27 -161.3(6) . . . . ?
C15 C16 Cr1 C13 -66.6(6) . . . . ?
C17 C16 Cr1 C13 67.2(6) . . . . ?
C15 C16 Cr1 C14 -29.9(6) . . . . ?
C17 C16 Cr1 C14 103.9(6) . . . . ?
C17 C16 Cr1 C15 133.9(9) . . . . ?
C15 C16 Cr1 C12 -105.5(7) . . . . ?
C17 C16 Cr1 C12 28.4(6) . . . . ?
C15 C16 Cr1 C17 -133.9(9) . . . . ?
C15 C16 Cr1 Pd1 -140.8(5) . . . . ?
C17 C16 Cr1 Pd1 -7.0(6) . . . . ?
C17 C12 Cr1 C26 164.9(6) . . . . ?
C11 C12 Cr1 C26 48.1(9) . . . . ?
C13 C12 Cr1 C26 -65.7(6) . . . . ?
Pd1 C12 Cr1 C26 51.0(4) . . . . ?
C17 C12 Cr1 C25 64.0(6) . . . . ?
C11 C12 Cr1 C25 -52.9(8) . . . . ?
C13 C12 Cr1 C25 -166.7(6) . . . . ?
Pd1 C12 Cr1 C25 -50.0(4) . . . . ?
C17 C12 Cr1 C27 -72.6(18) . . . . ?
C11 C12 Cr1 C27 170.5(14) . . . . ?
C13 C12 Cr1 C27 56.7(17) . . . . ?
Pd1 C12 Cr1 C27 173.4(15) . . . . ?
C17 C12 Cr1 C13 -129.3(8) . . . . ?
C11 C12 Cr1 C13 113.8(10) . . . . ?
Pd1 C12 Cr1 C13 116.7(5) . . . . ?
C17 C12 Cr1 C14 -100.4(6) . . . . ?
C11 C12 Cr1 C14 142.8(9) . . . . ?
C13 C12 Cr1 C14 29.0(5) . . . . ?
Pd1 C12 Cr1 C14 145.7(4) . . . . ?
C17 C12 Cr1 C15 -64.4(6) . . . . ?
C11 C12 Cr1 C15 178.7(8) . . . . ?
C13 C12 Cr1 C15 64.9(5) . . . . ?
Pd1 C12 Cr1 C15 -178.4(3) . . . . ?
C17 C12 Cr1 C16 -28.3(5) . . . . ?
C11 C12 Cr1 C16 -145.2(9) . . . . ?
C13 C12 Cr1 C16 101.0(6) . . . . ?
Pd1 C12 Cr1 C16 -142.3(4) . . . . ?
C11 C12 Cr1 C17 -116.9(11) . . . . ?
C13 C12 Cr1 C17 129.3(8) . . . . ?
Pd1 C12 Cr1 C17 -113.9(6) . . . . ?
C17 C12 Cr1 Pd1 113.9(6) . . . . ?
C11 C12 Cr1 Pd1 -2.9(6) . . . . ?
C13 C12 Cr1 Pd1 -116.7(5) . . . . ?
C16 C17 Cr1 C26 -154.2(7) . . . . ?
C12 C17 Cr1 C26 -21.2(8) . . . . ?
C18 C17 Cr1 C26 91.2(10) . . . . ?
C16 C17 Cr1 C25 106.9(6) . . . . ?
C12 C17 Cr1 C25 -120.0(6) . . . . ?
C18 C17 Cr1 C25 -7.7(9) . . . . ?
C16 C17 Cr1 C27 27.5(9) . . . . ?
C12 C17 Cr1 C27 160.6(7) . . . . ?
C18 C17 Cr1 C27 -87.1(10) . . . . ?
C16 C17 Cr1 C13 -101.4(6) . . . . ?
C12 C17 Cr1 C13 31.7(6) . . . . ?
C18 C17 Cr1 C13 144.0(9) . . . . ?
C16 C17 Cr1 C14 -64.5(6) . . . . ?
C12 C17 Cr1 C14 68.6(6) . . . . ?
C18 C17 Cr1 C14 -179.1(9) . . . . ?
C16 C17 Cr1 C15 -28.2(6) . . . . ?
C12 C17 Cr1 C15 104.9(7) . . . . ?
C18 C17 Cr1 C15 -142.8(9) . . . . ?
C12 C17 Cr1 C16 133.1(9) . . . . ?
C18 C17 Cr1 C16 -114.6(11) . . . . ?
C16 C17 Cr1 C12 -133.1(9) . . . . ?
C18 C17 Cr1 C12 112.3(11) . . . . ?
C16 C17 Cr1 Pd1 173.5(6) . . . . ?
C12 C17 Cr1 Pd1 -53.4(5) . . . . ?
C18 C17 Cr1 Pd1 58.9(8) . . . . ?
C22 C23 Cr2 C29 -174.1(6) . . . . ?
C24 C23 Cr2 C29 54.4(7) . . . . ?
C22 C23 Cr2 C30 6.3(15) . . . . ?
C24 C23 Cr2 C30 -125.3(12) . . . . ?
C22 C23 Cr2 C28 -87.1(6) . . . . ?
C24 C23 Cr2 C28 141.3(6) . . . . ?
C24 C23 Cr2 C22 -131.6(9) . . . . ?
C22 C23 Cr2 C21 28.6(6) . . . . ?
C24 C23 Cr2 C21 -102.9(6) . . . . ?
C22 C23 Cr2 C20 65.9(6) . . . . ?
C24 C23 Cr2 C20 -65.7(6) . . . . ?
C22 C23 Cr2 C19 102.1(7) . . . . ?
C24 C23 Cr2 C19 -29.5(5) . . . . ?
C22 C23 Cr2 C24 131.6(9) . . . . ?
C21 C22 Cr2 C29 142.8(8) . . . . ?
C23 C22 Cr2 C29 10.4(11) . . . . ?
C21 C22 Cr2 C30 -45.2(8) . . . . ?
C23 C22 Cr2 C30 -177.5(6) . . . . ?
C21 C22 Cr2 C28 -135.8(6) . . . . ?
C23 C22 Cr2 C28 91.8(6) . . . . ?
C21 C22 Cr2 C23 132.4(9) . . . . ?
C23 C22 Cr2 C21 -132.4(9) . . . . ?
C21 C22 Cr2 C20 30.3(6) . . . . ?
C23 C22 Cr2 C20 -102.1(6) . . . . ?
C21 C22 Cr2 C19 66.7(6) . . . . ?
C23 C22 Cr2 C19 -65.6(6) . . . . ?
C21 C22 Cr2 C24 103.3(6) . . . . ?
C23 C22 Cr2 C24 -29.1(6) . . . . ?
C22 C21 Cr2 C29 -116.0(11) . . . . ?
C20 C21 Cr2 C29 14.4(14) . . . . ?
C22 C21 Cr2 C30 144.1(6) . . . . ?
C20 C21 Cr2 C30 -85.5(6) . . . . ?
C22 C21 Cr2 C28 49.0(7) . . . . ?
C20 C21 Cr2 C28 179.5(6) . . . . ?
C22 C21 Cr2 C23 -28.8(6) . . . . ?
C20 C21 Cr2 C23 101.7(6) . . . . ?
C20 C21 Cr2 C22 130.4(9) . . . . ?
C22 C21 Cr2 C20 -130.4(9) . . . . ?
C22 C21 Cr2 C19 -101.2(6) . . . . ?
C20 C21 Cr2 C19 29.2(5) . . . . ?
C22 C21 Cr2 C24 -64.8(6) . . . . ?
C20 C21 Cr2 C24 65.6(6) . . . . ?
C19 C20 Cr2 C29 -42.9(7) . . . . ?
C21 C20 Cr2 C29 -173.9(6) . . . . ?
C19 C20 Cr2 C30 -131.2(6) . . . . ?
C21 C20 Cr2 C30 97.7(6) . . . . ?
C19 C20 Cr2 C28 130.1(8) . . . . ?
C21 C20 Cr2 C28 -1.0(11) . . . . ?
C19 C20 Cr2 C23 65.1(5) . . . . ?
C21 C20 Cr2 C23 -66.0(6) . . . . ?
C19 C20 Cr2 C22 101.5(6) . . . . ?
C21 C20 Cr2 C22 -29.6(5) . . . . ?
C19 C20 Cr2 C21 131.1(8) . . . . ?
C21 C20 Cr2 C19 -131.1(8) . . . . ?
C19 C20 Cr2 C24 28.9(5) . . . . ?
C21 C20 Cr2 C24 -102.2(6) . . . . ?
C20 C19 Cr2 C29 144.8(6) . . . . ?
C24 C19 Cr2 C29 -83.0(6) . . . . ?
C18 C19 Cr2 C29 31.5(9) . . . . ?
C20 C19 Cr2 C30 56.2(6) . . . . ?
C24 C19 Cr2 C30 -171.6(5) . . . . ?
C18 C19 Cr2 C30 -57.1(10) . . . . ?
C20 C19 Cr2 C28 -123.3(9) . . . . ?
C24 C19 Cr2 C28 8.9(11) . . . . ?
C18 C19 Cr2 C28 123.4(10) . . . . ?
C20 C19 Cr2 C23 -102.9(6) . . . . ?
C24 C19 Cr2 C23 29.3(5) . . . . ?
C18 C19 Cr2 C23 143.8(10) . . . . ?
C20 C19 Cr2 C22 -66.4(6) . . . . ?
C24 C19 Cr2 C22 65.8(6) . . . . ?
C18 C19 Cr2 C22 -179.7(9) . . . . ?
C20 C19 Cr2 C21 -29.9(5) . . . . ?
C24 C19 Cr2 C21 102.3(6) . . . . ?
C18 C19 Cr2 C21 -143.2(10) . . . . ?
C24 C19 Cr2 C20 132.2(8) . . . . ?
C18 C19 Cr2 C20 -113.3(11) . . . . ?
C20 C19 Cr2 C24 -132.2(8) . . . . ?
C18 C19 Cr2 C24 114.5(11) . . . . ?
C23 C24 Cr2 C29 -131.0(6) . . . . ?
C19 C24 Cr2 C29 97.9(6) . . . . ?
C11 C24 Cr2 C29 -14.5(8) . . . . ?
C23 C24 Cr2 C30 146.9(8) . . . . ?
C19 C24 Cr2 C30 15.8(10) . . . . ?
C11 C24 Cr2 C30 -96.6(10) . . . . ?
C23 C24 Cr2 C28 -44.3(7) . . . . ?
C19 C24 Cr2 C28 -175.4(5) . . . . ?
C11 C24 Cr2 C28 72.2(9) . . . . ?
C19 C24 Cr2 C23 -131.1(8) . . . . ?
C11 C24 Cr2 C23 116.5(11) . . . . ?
C23 C24 Cr2 C22 29.2(6) . . . . ?
C19 C24 Cr2 C22 -101.9(6) . . . . ?
C11 C24 Cr2 C22 145.7(9) . . . . ?
C23 C24 Cr2 C21 65.2(6) . . . . ?
C19 C24 Cr2 C21 -65.9(6) . . . . ?
C11 C24 Cr2 C21 -178.3(9) . . . . ?
C23 C24 Cr2 C20 102.4(6) . . . . ?
C19 C24 Cr2 C20 -28.8(5) . . . . ?
C11 C24 Cr2 C20 -141.1(9) . . . . ?
C23 C24 Cr2 C19 131.1(8) . . . . ?
C11 C24 Cr2 C19 -112.4(10) . . . . ?
C6 C10 Pd1 C11 170.5(7) . . . . ?
C6 C10 Pd1 N1 -5.4(7) . . . . ?
C6 C10 Pd1 C12 174.7(6) . . . . ?
C6 C10 Pd1 C26 61.1(11) . . . . ?
C6 C10 Pd1 Cr1 -167.1(12) . . . . ?
C12 C11 Pd1 C10 173.7(6) . . . . ?
C24 C11 Pd1 C10 54.7(7) . . . . ?
C24 C11 Pd1 C12 -119.0(9) . . . . ?
C12 C11 Pd1 C26 -35.7(6) . . . . ?
C24 C11 Pd1 C26 -154.7(6) . . . . ?
C12 C11 Pd1 Cr1 -2.3(5) . . . . ?
C24 C11 Pd1 Cr1 -121.2(7) . . . . ?
C1 N1 Pd1 C10 -179.9(9) . . . . ?
C5 N1 Pd1 C10 3.2(6) . . . . ?
C1 N1 Pd1 C12 -0.1(13) . . . . ?
C5 N1 Pd1 C12 -176.9(6) . . . . ?
C1 N1 Pd1 C26 28.2(9) . . . . ?
C5 N1 Pd1 C26 -148.7(6) . . . . ?
C1 N1 Pd1 Cr1 -3.4(9) . . . . ?
C5 N1 Pd1 Cr1 179.8(5) . . . . ?
C17 C12 Pd1 C10 109.8(7) . . . . ?
C11 C12 Pd1 C10 -7.4(7) . . . . ?
C13 C12 Pd1 C10 -123.6(7) . . . . ?
Cr1 C12 Pd1 C10 175.6(4) . . . . ?
C17 C12 Pd1 C11 117.2(9) . . . . ?
C13 C12 Pd1 C11 -116.2(9) . . . . ?
Cr1 C12 Pd1 C11 -177.0(7) . . . . ?
C17 C12 Pd1 N1 -70.1(10) . . . . ?
C11 C12 Pd1 N1 172.7(7) . . . . ?
C13 C12 Pd1 N1 56.5(10) . . . . ?
Cr1 C12 Pd1 N1 -4.3(8) . . . . ?
C17 C12 Pd1 C26 -99.5(6) . . . . ?
C11 C12 Pd1 C26 143.3(6) . . . . ?
C13 C12 Pd1 C26 27.1(6) . . . . ?
Cr1 C12 Pd1 C26 -33.7(3) . . . . ?
C17 C12 Pd1 Cr1 -65.8(5) . . . . ?
C11 C12 Pd1 Cr1 177.0(7) . . . . ?
C13 C12 Pd1 Cr1 60.8(5) . . . . ?
O2 C26 Pd1 C10 -7.4(12) . . . . ?
Cr1 C26 Pd1 C10 167.4(6) . . . . ?
O2 C26 Pd1 C11 -113.7(8) . . . . ?
Cr1 C26 Pd1 C11 61.1(4) . . . . ?
O2 C26 Pd1 N1 58.4(8) . . . . ?
Cr1 C26 Pd1 N1 -126.8(4) . . . . ?
O2 C26 Pd1 C12 -133.4(8) . . . . ?
Cr1 C26 Pd1 C12 41.4(3) . . . . ?
O2 C26 Pd1 Cr1 -174.8(10) . . . . ?
C26 Cr1 Pd1 C10 -142.2(18) . . . . ?
C25 Cr1 Pd1 C10 105.7(18) . . . . ?
C27 Cr1 Pd1 C10 161.2(18) . . . . ?
C13 Cr1 Pd1 C10 -55.3(18) . . . . ?
C14 Cr1 Pd1 C10 -57.1(18) . . . . ?
C15 Cr1 Pd1 C10 -18.5(18) . . . . ?
C16 Cr1 Pd1 C10 17.1(18) . . . . ?
C12 Cr1 Pd1 C10 -20.9(18) . . . . ?
C17 Cr1 Pd1 C10 12.8(18) . . . . ?
C26 Cr1 Pd1 C11 -119.6(4) . . . . ?
C25 Cr1 Pd1 C11 128.3(4) . . . . ?
C27 Cr1 Pd1 C11 -176.2(5) . . . . ?
C13 Cr1 Pd1 C11 -32.7(4) . . . . ?
C14 Cr1 Pd1 C11 -34.5(4) . . . . ?
C15 Cr1 Pd1 C11 4.1(5) . . . . ?
C16 Cr1 Pd1 C11 39.7(4) . . . . ?
C12 Cr1 Pd1 C11 1.7(4) . . . . ?
C17 Cr1 Pd1 C11 35.4(3) . . . . ?
C26 Cr1 Pd1 N1 56.8(4) . . . . ?
C25 Cr1 Pd1 N1 -55.3(4) . . . . ?
C27 Cr1 Pd1 N1 0.3(5) . . . . ?
C13 Cr1 Pd1 N1 143.7(3) . . . . ?
C14 Cr1 Pd1 N1 141.9(4) . . . . ?
C15 Cr1 Pd1 N1 -179.4(5) . . . . ?
C16 Cr1 Pd1 N1 -143.9(4) . . . . ?
C12 Cr1 Pd1 N1 178.1(4) . . . . ?
C17 Cr1 Pd1 N1 -148.1(3) . . . . ?
C26 Cr1 Pd1 C12 -121.3(5) . . . . ?
C25 Cr1 Pd1 C12 126.6(4) . . . . ?
C27 Cr1 Pd1 C12 -177.9(5) . . . . ?
C13 Cr1 Pd1 C12 -34.4(4) . . . . ?
C14 Cr1 Pd1 C12 -36.2(4) . . . . ?
C15 Cr1 Pd1 C12 2.4(5) . . . . ?
C16 Cr1 Pd1 C12 38.0(4) . . . . ?
C17 Cr1 Pd1 C12 33.7(4) . . . . ?
C25 Cr1 Pd1 C26 -112.1(5) . . . . ?
C27 Cr1 Pd1 C26 -56.5(5) . . . . ?
C13 Cr1 Pd1 C26 86.9(4) . . . . ?
C14 Cr1 Pd1 C26 85.1(5) . . . . ?
C15 Cr1 Pd1 C26 123.8(6) . . . . ?
C16 Cr1 Pd1 C26 159.3(5) . . . . ?
C12 Cr1 Pd1 C26 121.3(5) . . . . ?
C17 Cr1 Pd1 C26 155.1(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.959
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.968
_refine_diff_density_max         1.164
_refine_diff_density_min         -1.025
_refine_diff_density_rms         0.200
### END

_chemical_properties_physical    
'Air-sensitive, Moisture-sensitive, Light-sensitive'
