# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 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_rm08
_database_code_depnum_ccdc_archive 'CCDC 1519880'
_audit_update_record             
;
2016-11-29 deposited with the CCDC.
2017-01-26 downloaded from the CCDC.
;
_audit_creation_date             2016-08-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C25 H69 Cr2 N6 Na3'
_chemical_formula_sum            'C25 H69 Cr2 N6 Na3'
_chemical_formula_weight         626.83
_chemical_absolute_configuration ?
_chemical_melting_point          ?
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'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'

_cell_length_a                   13.5520(7)
_cell_length_b                   14.8524(6)
_cell_length_c                   18.5398(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3731.7(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5399
_cell_measurement_temperature    150.1
_cell_measurement_theta_max      30.0744
_cell_measurement_theta_min      2.9489
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.638
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.98398
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.116
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1368
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0504
_diffrn_reflns_av_unetI/netI     0.0857
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.929
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            22619
_diffrn_reflns_point_group_measured_fraction_full 0.976
_diffrn_reflns_point_group_measured_fraction_max 0.874
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.971
_diffrn_reflns_theta_min         2.955
_diffrn_ambient_temperature      150.1
_diffrn_detector_area_resol_mean 16.0727
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.929
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   64.00   89.00   1.0000   89.2200
omega____ theta____ kappa____ phi______ frames
    -       20.8078  179.0000   30.0000 25

#__ type_ start__ end____ width___ exp.time_
  2 omega  -89.00   32.00   1.0000   89.2200
omega____ theta____ kappa____ phi______ frames
    -      -21.5890    0.0000   30.0000 121

#__ type_ start__ end____ width___ exp.time_
  3 omega   -9.00   16.00   1.0000   89.2200
omega____ theta____ kappa____ phi______ frames
    -       20.8078   77.0000 -120.0000 25

#__ type_ start__ end____ width___ exp.time_
  4 omega  -52.00   47.00   1.0000   89.2200
omega____ theta____ kappa____ phi______ frames
    -       20.8078  -37.0000  120.0000 99
;
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0269727000
_diffrn_orient_matrix_UB_12      0.0308239000
_diffrn_orient_matrix_UB_13      -0.0216010000
_diffrn_orient_matrix_UB_21      0.0446323000
_diffrn_orient_matrix_UB_22      -0.0216428000
_diffrn_orient_matrix_UB_23      0.0098874000
_diffrn_orient_matrix_UB_31      -0.0046600000
_diffrn_orient_matrix_UB_32      -0.0293548000
_diffrn_orient_matrix_UB_33      -0.0299765000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.709
_reflns_Friedel_fraction_full    0.950
_reflns_Friedel_fraction_max     0.807
_reflns_number_gt                6618
_reflns_number_total             9490
_reflns_odcompleteness_completeness 96.58
_reflns_odcompleteness_iscentric 0
_reflns_odcompleteness_theta     27.82
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
;
_computing_data_collection       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
;
_computing_data_reduction        
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.341
_refine_diff_density_min         -0.256
_refine_diff_density_rms         0.060
_refine_ls_abs_structure_details 
;
 Flack x determined using 2169 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   -0.009(12)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     472
_refine_ls_number_reflns         9490
_refine_ls_number_restraints     142
_refine_ls_R_factor_all          0.0966
_refine_ls_R_factor_gt           0.0551
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0290P)²+0.2163P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0811
_refine_ls_wR_factor_ref         0.0942
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 N5-C20 = N5-C21 = N5-C22 = N6-C23 = N6-C24 = N6-C25
 1.48 with sigma of 0.01
 N5A-C20A = N5A-C21A = N5A-C22A = N6A-C24A = N6A-C25A = N6A-C23A
 1.48 with sigma of 0.01
 C22A-C23A = C22-C23 = C11-C10 = C10A-C11A
 1.53 with sigma of 0.01
 N1-C8 = N1-C9 = N1-C10 = N2-C11 = N2-C12 = N2-C13
 1.48 with sigma of 0.01
 N1-C8A = N1-C9A = N1-C10A = N2-C11A = N2-C12A = N2-C13A
 1.48 with sigma of 0.01
3. Rigid bond restraints
 N5, N6, C20, C21, C22, C23, C24, C25
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 N1, N2, C8, C9, C10, C11, C12, C13
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
N5 \\sim N6 \\sim C20 \\sim C21 \\sim C22 \\sim C23 \\sim C24 \\sim C25: within
1.7A with sigma of 0.02 and sigma for terminal atoms of 0.02
N1 \\sim N2 \\sim C8 \\sim C9 \\sim C10 \\sim C11 \\sim C12 \\sim C13: within
1.7A with sigma of 0.02 and sigma for terminal atoms of 0.02
Uanis(N5) = Uanis(N5A)
Uanis(N6) = Uanis(N6A)
Uanis(C20) = Uanis(C20A)
Uanis(C21) = Uanis(C21A)
Uanis(C22) = Uanis(C22A)
Uanis(C23) = Uanis(C23A)
Uanis(C24) = Uanis(C24A)
Uanis(C25) = Uanis(C25A)
Uanis(C8) = Uanis(C8A)
Uanis(C9) = Uanis(C9A)
Uanis(C10) = Uanis(C10A)
Uanis(C11) = Uanis(C11A)
Uanis(C12) = Uanis(C12A)
Uanis(C13) = Uanis(C13A)
5. Others
 Sof(C22A)=Sof(H26A)=Sof(H26B)=Sof(C23A)=Sof(H27A)=Sof(H27B)=Sof(N5A)=Sof(N6A)=
 Sof(C21A)=Sof(H21D)=Sof(H21E)=Sof(H21F)=Sof(C24A)=Sof(H24D)=Sof(H24E)=
 Sof(H24F)=Sof(C25A)=Sof(H25D)=Sof(H25E)=Sof(H25F)=Sof(C20A)=Sof(H20D)=
 Sof(H20E)=Sof(H20F)=1-FVAR(1)
 Sof(N5)=Sof(N6)=Sof(C20)=Sof(H20A)=Sof(H20B)=Sof(H20C)=Sof(C21)=Sof(H21A)=
 Sof(H21B)=Sof(H21C)=Sof(C22)=Sof(H22A)=Sof(H22B)=Sof(C23)=Sof(H23A)=Sof(H23B)=
 Sof(C24)=Sof(H24A)=Sof(H24B)=Sof(H24C)=Sof(C25)=Sof(H25A)=Sof(H25B)=Sof(H25C)=
 FVAR(1)
 Sof(C8A)=Sof(H8A1)=Sof(H8A2)=Sof(H8A3)=Sof(C10A)=Sof(H10C)=Sof(H10D)=Sof(C9A)=
 Sof(H9A1)=Sof(H9A2)=Sof(H9A3)=Sof(C13A)=Sof(H13D)=Sof(H13E)=Sof(H13F)=
 Sof(C12A)=Sof(H12D)=Sof(H12E)=Sof(H12F)=Sof(C11A)=Sof(H11C)=Sof(H11D)=1-FVAR(2)
 Sof(C8)=Sof(H8A)=Sof(H8B)=Sof(H8C)=Sof(C9)=Sof(H9A)=Sof(H9B)=Sof(H9C)=
 Sof(C10)=Sof(H10A)=Sof(H10B)=Sof(C11)=Sof(H11A)=Sof(H11B)=Sof(C12)=Sof(H12A)=
 Sof(H12B)=Sof(H12C)=Sof(C13)=Sof(H13A)=Sof(H13B)=Sof(H13C)=FVAR(2)
6.a Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C11(H11A,H11B), C16(H16A,H16B), C17(H17A,H17B), C22(H22A,
 H22B), C23(H23A,H23B), C22A(H26A,H26B), C23A(H27A,H27B), C10A(H10C,H10D),
 C11A(H11C,H11D)
6.b Me refined with riding coordinates:
 C13A(H13D,H13E,H13F)
6.c Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C12(H12A,H12B,H12C), C13(H13A,H13B,H13C),
 C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C18(H18A,H18B,H18C), C19(H19A,H19B,
 H19C), C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C24(H24A,H24B,H24C), C25(H25A,
 H25B,H25C), C21A(H21D,H21E,H21F), C24A(H24D,H24E,H24F), C25A(H25D,H25E,H25F),
 C20A(H20D,H20E,H20F), C8A(H8A1,H8A2,H8A3), C9A(H9A1,H9A2,H9A3), C12A(H12D,H12E,
 H12F)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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
Cr1 Cr -0.95490(5) -0.50170(4) -0.14782(3) 0.02848(16) Uani 1 1 d . . . . .
Na1 Na -0.76300(14) -0.62255(11) -0.18168(9) 0.0395(5) Uani 1 1 d . . . . .
N1 N -0.6764(3) -0.7525(2) -0.23693(19) 0.0368(9) Uani 1 1 d D U . . .
C1 C -0.9328(4) -0.5978(3) -0.2362(3) 0.0358(12) Uani 1 1 d . . . . .
Cr2 Cr -0.91404(5) -0.55253(4) -0.05697(3) 0.02996(17) Uani 1 1 d . . . . .
Na2 Na -1.07164(13) -0.41233(10) -0.03153(8) 0.0324(4) Uani 1 1 d . . . . .
N2 N -0.5890(3) -0.5692(2) -0.21933(17) 0.0363(9) Uani 1 1 d D U . . .
C2 C -0.8481(4) -0.6857(3) -0.0691(3) 0.0363(11) Uani 1 1 d . . . . .
Na3 Na -1.04807(13) -0.68618(9) -0.13092(8) 0.0313(4) Uani 1 1 d . . . . .
N3 N -1.2289(3) -0.4123(2) 0.04274(19) 0.0385(9) Uani 1 1 d . . . . .
C3 C -1.1121(4) -0.5123(3) -0.1647(3) 0.0380(12) Uani 1 1 d . . . . .
N4 N -1.0966(3) -0.2510(2) 0.01581(19) 0.0391(9) Uani 1 1 d . . . . .
C4 C -1.0373(4) -0.6123(3) 0.0003(3) 0.0391(11) Uani 1 1 d . . . . .
N5 N -1.2276(5) -0.7383(3) -0.1514(3) 0.0282(13) Uani 0.782(6) 1 d D U P A 1
N6 N -1.0539(4) -0.8583(4) -0.1127(3) 0.0304(14) Uani 0.782(6) 1 d D U P A 1
C5 C -0.9734(5) -0.3579(3) -0.1420(3) 0.0471(15) Uani 1 1 d . . . . .
C6 C -0.9037(5) -0.4525(4) 0.0267(3) 0.0453(13) Uani 1 1 d . . . . .
C7 C -0.7941(5) -0.4735(4) -0.1179(5) 0.066(2) Uani 1 1 d . . . . .
C8 C -0.6934(6) -0.8367(3) -0.2006(4) 0.066(2) Uani 0.868(5) 1 d D U P B 1
H8A H -0.6537 -0.8840 -0.2234 0.098 Uiso 0.868(5) 1 calc GR . P B 1
H8B H -0.7634 -0.8524 -0.2038 0.098 Uiso 0.868(5) 1 calc GR . P B 1
H8C H -0.6744 -0.8310 -0.1498 0.098 Uiso 0.868(5) 1 calc GR . P B 1
C9 C -0.7143(5) -0.7587(5) -0.3112(3) 0.0626(19) Uani 0.868(5) 1 d D U P B 1
H9A H -0.6785 -0.8059 -0.3373 0.094 Uiso 0.868(5) 1 calc GR . P B 1
H9B H -0.7049 -0.7009 -0.3358 0.094 Uiso 0.868(5) 1 calc GR . P B 1
H9C H -0.7848 -0.7735 -0.3100 0.094 Uiso 0.868(5) 1 calc GR . P B 1
C10 C -0.5709(4) -0.7342(3) -0.2381(3) 0.0402(14) Uani 0.868(5) 1 d D U P B 1
H10A H -0.5383 -0.7784 -0.2702 0.048 Uiso 0.868(5) 1 calc R . P B 1
H10B H -0.5440 -0.7429 -0.1889 0.048 Uiso 0.868(5) 1 calc R . P B 1
C11 C -0.5456(5) -0.6399(4) -0.2636(5) 0.0386(19) Uani 0.868(5) 1 d D U P B 1
H11A H -0.4729 -0.6327 -0.2635 0.046 Uiso 0.868(5) 1 calc R . P B 1
H11B H -0.5687 -0.6325 -0.3139 0.046 Uiso 0.868(5) 1 calc R . P B 1
C12 C -0.5352(7) -0.5604(5) -0.1509(4) 0.075(2) Uani 0.868(5) 1 d D U P B 1
H12A H -0.4658 -0.5467 -0.1608 0.112 Uiso 0.868(5) 1 calc GR . P B 1
H12B H -0.5397 -0.6170 -0.1239 0.112 Uiso 0.868(5) 1 calc GR . P B 1
H12C H -0.5643 -0.5116 -0.1223 0.112 Uiso 0.868(5) 1 calc GR . P B 1
C13 C -0.5839(6) -0.4842(3) -0.2578(4) 0.076(2) Uani 0.868(5) 1 d D U P B 1
H13A H -0.5150 -0.4707 -0.2697 0.114 Uiso 0.868(5) 1 calc GR . P B 1
H13B H -0.6108 -0.4361 -0.2274 0.114 Uiso 0.868(5) 1 calc GR . P B 1
H13C H -0.6225 -0.4884 -0.3024 0.114 Uiso 0.868(5) 1 calc GR . P B 1
C14 C -1.2123(4) -0.4615(3) 0.1101(2) 0.0563(15) Uani 1 1 d . . . . .
H14A H -1.1975 -0.5246 0.0992 0.084 Uiso 1 1 calc GR . . . .
H14B H -1.2717 -0.4582 0.1401 0.084 Uiso 1 1 calc GR . . . .
H14C H -1.1566 -0.4346 0.1360 0.084 Uiso 1 1 calc GR . . . .
C15 C -1.3085(4) -0.4540(4) 0.0030(3) 0.0557(14) Uani 1 1 d . . . . .
H15A H -1.3159 -0.4240 -0.0437 0.084 Uiso 1 1 calc GR . . . .
H15B H -1.3700 -0.4484 0.0305 0.084 Uiso 1 1 calc GR . . . .
H15C H -1.2935 -0.5178 -0.0046 0.084 Uiso 1 1 calc GR . . . .
C16 C -1.2530(4) -0.3178(3) 0.0579(3) 0.0429(12) Uani 1 1 d . . . . .
H16A H -1.3009 -0.3154 0.0982 0.051 Uiso 1 1 calc R . . . .
H16B H -1.2852 -0.2912 0.0149 0.051 Uiso 1 1 calc R . . . .
C17 C -1.1650(4) -0.2625(3) 0.0771(3) 0.0515(14) Uani 1 1 d . . . . .
H17A H -1.1871 -0.2025 0.0938 0.062 Uiso 1 1 calc R . . . .
H17B H -1.1294 -0.2918 0.1174 0.062 Uiso 1 1 calc R . . . .
C18 C -1.0032(4) -0.2188(3) 0.0460(3) 0.0611(16) Uani 1 1 d . . . . .
H18A H -1.0137 -0.1605 0.0694 0.092 Uiso 1 1 calc GR . . . .
H18B H -0.9546 -0.2121 0.0072 0.092 Uiso 1 1 calc GR . . . .
H18C H -0.9788 -0.2623 0.0815 0.092 Uiso 1 1 calc GR . . . .
C19 C -1.1301(5) -0.1870(3) -0.0360(3) 0.0642(17) Uani 1 1 d . . . . .
H19A H -1.1358 -0.1277 -0.0132 0.096 Uiso 1 1 calc GR . . . .
H19B H -1.1947 -0.2056 -0.0546 0.096 Uiso 1 1 calc GR . . . .
H19C H -1.0827 -0.1838 -0.0759 0.096 Uiso 1 1 calc GR . . . .
C20 C -1.2538(7) -0.7363(8) -0.2280(3) 0.041(2) Uani 0.782(6) 1 d D U P A 1
H20A H -1.3220 -0.7570 -0.2340 0.061 Uiso 0.782(6) 1 calc GR . P A 1
H20B H -1.2093 -0.7759 -0.2550 0.061 Uiso 0.782(6) 1 calc GR . P A 1
H20C H -1.2477 -0.6746 -0.2462 0.061 Uiso 0.782(6) 1 calc GR . P A 1
C21 C -1.2974(5) -0.6815(4) -0.1127(4) 0.0378(15) Uani 0.782(6) 1 d D U P A 1
H21A H -1.3643 -0.7054 -0.1187 0.057 Uiso 0.782(6) 1 calc GR . P A 1
H21B H -1.2944 -0.6201 -0.1319 0.057 Uiso 0.782(6) 1 calc GR . P A 1
H21C H -1.2804 -0.6807 -0.0613 0.057 Uiso 0.782(6) 1 calc GR . P A 1
C22 C -1.2345(4) -0.8303(3) -0.1222(3) 0.0331(14) Uani 0.782(6) 1 d D U P A 1
H22A H -1.2962 -0.8584 -0.1399 0.040 Uiso 0.782(6) 1 calc R . P A 1
H22B H -1.2386 -0.8268 -0.0690 0.040 Uiso 0.782(6) 1 calc R . P A 1
C23 C -1.1487(4) -0.8900(3) -0.1424(3) 0.0339(14) Uani 0.782(6) 1 d D U P A 1
H23A H -1.1617 -0.9517 -0.1246 0.041 Uiso 0.782(6) 1 calc R . P A 1
H23B H -1.1437 -0.8928 -0.1956 0.041 Uiso 0.782(6) 1 calc R . P A 1
C24 C -1.0490(7) -0.8773(6) -0.0355(3) 0.0429(18) Uani 0.782(6) 1 d D U P A 1
H24A H -1.0551 -0.9423 -0.0276 0.064 Uiso 0.782(6) 1 calc GR . P A 1
H24B H -1.1029 -0.8460 -0.0107 0.064 Uiso 0.782(6) 1 calc GR . P A 1
H24C H -0.9856 -0.8563 -0.0164 0.064 Uiso 0.782(6) 1 calc GR . P A 1
C25 C -0.9723(10) -0.9058(12) -0.1481(9) 0.0446(18) Uani 0.782(6) 1 d D U P A 1
H25A H -0.9798 -0.9708 -0.1407 0.067 Uiso 0.782(6) 1 calc GR . P A 1
H25B H -0.9095 -0.8858 -0.1274 0.067 Uiso 0.782(6) 1 calc GR . P A 1
H25C H -0.9732 -0.8926 -0.1999 0.067 Uiso 0.782(6) 1 calc GR . P A 1
C22A C -1.2034(17) -0.8533(11) -0.1665(10) 0.0331(14) Uani 0.218(6) 1 d D . P A
2
H26A H -1.1645 -0.8775 -0.2074 0.040 Uiso 0.218(6) 1 calc R . P A 2
H26B H -1.2710 -0.8781 -0.1699 0.040 Uiso 0.218(6) 1 calc R . P A 2
C23A C -1.1566(15) -0.8833(13) -0.0958(10) 0.0339(14) Uani 0.218(6) 1 d D . P A
2
H27A H -1.1970 -0.8608 -0.0551 0.041 Uiso 0.218(6) 1 calc R . P A 2
H27B H -1.1568 -0.9499 -0.0936 0.041 Uiso 0.218(6) 1 calc R . P A 2
N5A N -1.208(2) -0.7544(12) -0.1717(12) 0.0282(13) Uani 0.218(6) 1 d D . P A 2
N6A N -1.0544(17) -0.851(2) -0.0872(12) 0.0304(14) Uani 0.218(6) 1 d D . P A 2
C21A C -1.281(2) -0.7182(17) -0.1218(15) 0.0378(15) Uani 0.218(6) 1 d D . P A 2
H21D H -1.2943 -0.6552 -0.1340 0.057 Uiso 0.218(6) 1 calc GR . P A 2
H21E H -1.2551 -0.7217 -0.0724 0.057 Uiso 0.218(6) 1 calc GR . P A 2
H21F H -1.3416 -0.7533 -0.1254 0.057 Uiso 0.218(6) 1 calc GR . P A 2
C24A C -1.021(3) -0.869(3) -0.0133(14) 0.0429(18) Uani 0.218(6) 1 d D . P A 2
H24D H -1.0676 -0.8419 0.0210 0.064 Uiso 0.218(6) 1 calc GR . P A 2
H24E H -0.9554 -0.8432 -0.0060 0.064 Uiso 0.218(6) 1 calc GR . P A 2
H24F H -1.0186 -0.9342 -0.0054 0.064 Uiso 0.218(6) 1 calc GR . P A 2
C25A C -0.992(4) -0.898(5) -0.140(3) 0.0446(18) Uani 0.218(6) 1 d D . P A 2
H25D H -0.9232 -0.8793 -0.1341 0.067 Uiso 0.218(6) 1 calc GR . P A 2
H25E H -1.0141 -0.8831 -0.1891 0.067 Uiso 0.218(6) 1 calc GR . P A 2
H25F H -0.9973 -0.9632 -0.1326 0.067 Uiso 0.218(6) 1 calc GR . P A 2
C20A C -1.232(3) -0.735(3) -0.2476(13) 0.041(2) Uani 0.218(6) 1 d D . P A 2
H20D H -1.2973 -0.7592 -0.2588 0.061 Uiso 0.218(6) 1 calc GR . P A 2
H20E H -1.1826 -0.7636 -0.2790 0.061 Uiso 0.218(6) 1 calc GR . P A 2
H20F H -1.2312 -0.6699 -0.2555 0.061 Uiso 0.218(6) 1 calc GR . P A 2
C8A C -0.628(3) -0.792(2) -0.1727(14) 0.066(2) Uani 0.132(5) 1 d D . P B 2
H8A1 H -0.6784 -0.8161 -0.1400 0.098 Uiso 0.132(5) 1 calc GR . P B 2
H8A2 H -0.5896 -0.7457 -0.1478 0.098 Uiso 0.132(5) 1 calc GR . P B 2
H8A3 H -0.5840 -0.8410 -0.1878 0.098 Uiso 0.132(5) 1 calc GR . P B 2
C10A C -0.602(2) -0.711(2) -0.2844(17) 0.0402(14) Uani 0.132(5) 1 d D . P B 2
H10C H -0.6378 -0.6805 -0.3241 0.048 Uiso 0.132(5) 1 calc R . P B 2
H10D H -0.5631 -0.7603 -0.3063 0.048 Uiso 0.132(5) 1 calc R . P B 2
C9A C -0.749(3) -0.818(3) -0.264(2) 0.0626(19) Uani 0.132(5) 1 d D . P B 2
H9A1 H -0.7142 -0.8693 -0.2858 0.094 Uiso 0.132(5) 1 calc GR . P B 2
H9A2 H -0.7915 -0.7897 -0.2997 0.094 Uiso 0.132(5) 1 calc GR . P B 2
H9A3 H -0.7892 -0.8400 -0.2234 0.094 Uiso 0.132(5) 1 calc GR . P B 2
C13A C -0.632(4) -0.512(3) -0.277(2) 0.076(2) Uani 0.132(5) 1 d D . P B 2
H13D H -0.6447 -0.4514 -0.2573 0.114 Uiso 0.132(5) 1 calc R . P B 2
H13E H -0.6940 -0.5383 -0.2935 0.114 Uiso 0.132(5) 1 calc R . P B 2
H13F H -0.5855 -0.5074 -0.3170 0.114 Uiso 0.132(5) 1 calc R . P B 2
C12A C -0.522(5) -0.522(4) -0.170(3) 0.075(2) Uani 0.132(5) 1 d D . P B 2
H12D H -0.4627 -0.5024 -0.1958 0.112 Uiso 0.132(5) 1 calc GR . P B 2
H12E H -0.5026 -0.5625 -0.1304 0.112 Uiso 0.132(5) 1 calc GR . P B 2
H12F H -0.5553 -0.4691 -0.1493 0.112 Uiso 0.132(5) 1 calc GR . P B 2
C11A C -0.531(2) -0.644(3) -0.251(4) 0.0386(19) Uani 0.132(5) 1 d D . P B 2
H11C H -0.4917 -0.6737 -0.2124 0.046 Uiso 0.132(5) 1 calc R . P B 2
H11D H -0.4852 -0.6205 -0.2877 0.046 Uiso 0.132(5) 1 calc R . P B 2
H1A H -0.990(4) -0.595(3) -0.268(2) 0.046(14) Uiso 1 1 d . . . . .
H6A H -0.951(4) -0.447(3) 0.060(2) 0.058(16) Uiso 1 1 d . . . . .
H4A H -1.098(4) -0.583(3) 0.006(2) 0.055(16) Uiso 1 1 d . . . . .
H2A H -0.768(3) -0.685(3) -0.065(2) 0.042(12) Uiso 1 1 d . . . . .
H1B H -0.922(3) -0.662(2) -0.2321(17) 0.024(10) Uiso 1 1 d . . . . .
H2B H -0.855(3) -0.725(3) -0.109(2) 0.039(13) Uiso 1 1 d . . . . .
H4B H -1.016(4) -0.615(3) 0.050(3) 0.056(15) Uiso 1 1 d . . . . .
H6B H -0.879(4) -0.394(3) 0.022(2) 0.048(15) Uiso 1 1 d . . . . .
H2C H -0.872(3) -0.715(3) -0.028(2) 0.050(15) Uiso 1 1 d . . . . .
H5A H -0.942(4) -0.322(3) -0.105(2) 0.047(14) Uiso 1 1 d . . . . .
H5B H -0.947(4) -0.339(3) -0.186(2) 0.052(14) Uiso 1 1 d . . . . .
H7A H -0.764(4) -0.463(4) -0.168(3) 0.08(2) Uiso 1 1 d . . . . .
H5C H -1.035(4) -0.336(3) -0.144(2) 0.044(15) Uiso 1 1 d . . . . .
H4C H -1.055(3) -0.671(3) -0.005(2) 0.042(13) Uiso 1 1 d . . . . .
H7B H -0.749(4) -0.507(3) -0.097(2) 0.051(18) Uiso 1 1 d . . . . .
H3B H -1.139(4) -0.571(3) -0.185(2) 0.058(15) Uiso 1 1 d . . . . .
H7C H -0.784(4) -0.421(4) -0.095(3) 0.078(19) Uiso 1 1 d . . . . .
H3C H -1.128(4) -0.469(3) -0.202(3) 0.069(17) Uiso 1 1 d . . . . .
H6C H -0.847(4) -0.482(3) 0.054(2) 0.064(16) Uiso 1 1 d . . . . .
H1C H -0.880(4) -0.577(3) -0.266(3) 0.073(19) Uiso 1 1 d . . . . .
H3A H -1.156(4) -0.488(3) -0.131(3) 0.071(18) Uiso 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
Cr1 Na1 3.2216(19) . ?
Cr1 C1 2.194(4) . ?
Cr1 Cr2 1.9270(9) . ?
Cr1 Na2 2.9855(16) . ?
Cr1 Na3 3.0331(15) . ?
Cr1 C3 2.159(5) . ?
Cr1 C5 2.154(4) . ?
Cr1 C7 2.287(7) . ?
Na1 N1 2.480(4) . ?
Na1 C1 2.540(6) . ?
Na1 Cr2 3.2583(18) . ?
Na1 N2 2.584(4) . ?
Na1 C2 2.562(6) . ?
Na1 Na3 4.087(3) . ?
Na1 C7 2.544(6) . ?
Na1 C8A 3.12(3) . ?
Na1 C13A 2.99(5) . ?
Na1 H2A 2.35(4) . ?
Na1 H1B 2.42(4) . ?
Na1 H2B 2.38(4) . ?
Na1 H7A 2.39(5) . ?
Na1 H7B 2.33(5) . ?
Na1 H1C 2.33(5) . ?
N1 C8 1.439(5) . ?
N1 C9 1.473(6) . ?
N1 C10 1.456(6) . ?
N1 C8A 1.482(13) . ?
N1 C10A 1.467(13) . ?
N1 C9A 1.473(13) . ?
C1 Na3 2.824(5) . ?
C1 H1A 0.97(5) . ?
C1 H1B 0.96(4) . ?
C1 H1C 0.95(5) . ?
Cr2 Na2 3.0200(17) . ?
Cr2 C2 2.181(5) . ?
Cr2 Na3 3.0197(16) . ?
Cr2 C4 2.169(5) . ?
Cr2 C6 2.153(5) . ?
Cr2 C7 2.302(7) . ?
Na2 N3 2.538(4) . ?
Na2 C3 2.932(5) . ?
Na2 N4 2.574(4) . ?
Na2 C4 3.063(5) . ?
Na2 C5 2.572(6) . ?
Na2 C6 2.588(6) . ?
Na2 H6A 2.41(5) . ?
Na2 H4A 2.65(5) . ?
Na2 H5A 2.60(4) . ?
Na2 H5C 2.43(4) . ?
Na2 H3A 2.45(5) . ?
N2 C11 1.457(6) . ?
N2 C12 1.469(6) . ?
N2 C13 1.452(5) . ?
N2 C13A 1.481(13) . ?
N2 C12A 1.476(13) . ?
N2 C11A 1.478(13) . ?
C2 Na3 2.942(5) . ?
C2 H2A 1.08(4) . ?
C2 H2B 0.95(4) . ?
C2 H2C 0.94(4) . ?
Na3 C3 2.796(5) . ?
Na3 C4 2.673(5) . ?
Na3 N5 2.581(7) . ?
Na3 N6 2.580(7) . ?
Na3 N5A 2.50(3) . ?
Na3 N6A 2.58(3) . ?
Na3 H1B 2.57(4) . ?
Na3 H4C 2.34(4) . ?
Na3 H3B 2.34(5) . ?
N3 C14 1.464(5) . ?
N3 C15 1.445(6) . ?
N3 C16 1.469(5) . ?
C3 H3B 1.01(5) . ?
C3 H3C 0.97(5) . ?
C3 H3A 0.93(5) . ?
N4 C17 1.475(6) . ?
N4 C18 1.464(6) . ?
N4 C19 1.425(6) . ?
C4 H4A 0.93(5) . ?
C4 H4B 0.97(5) . ?
C4 H4C 0.92(4) . ?
N5 C20 1.463(6) . ?
N5 C21 1.458(6) . ?
N5 C22 1.473(6) . ?
N6 C23 1.475(7) . ?
N6 C24 1.460(6) . ?
N6 C25 1.467(7) . ?
C5 H5A 0.97(4) . ?
C5 H5B 0.93(5) . ?
C5 H5C 0.89(5) . ?
C6 H6A 0.90(5) . ?
C6 H6B 0.93(5) . ?
C6 H6C 1.02(5) . ?
C7 H7A 1.03(5) . ?
C7 H7B 0.88(5) . ?
C7 H7C 0.90(5) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C11 1.518(8) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.491(7) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C23 1.508(7) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C22A H26A 0.9900 . ?
C22A H26B 0.9900 . ?
C22A C23A 1.524(12) . ?
C22A N5A 1.473(12) . ?
C23A H27A 0.9900 . ?
C23A H27B 0.9900 . ?
C23A N6A 1.476(13) . ?
N5A C21A 1.459(13) . ?
N5A C20A 1.472(13) . ?
N6A C24A 1.469(13) . ?
N6A C25A 1.475(13) . ?
C21A H21D 0.9800 . ?
C21A H21E 0.9800 . ?
C21A H21F 0.9800 . ?
C24A H24D 0.9800 . ?
C24A H24E 0.9800 . ?
C24A H24F 0.9800 . ?
C25A H25D 0.9800 . ?
C25A H25E 0.9800 . ?
C25A H25F 0.9800 . ?
C20A H20D 0.9800 . ?
C20A H20E 0.9800 . ?
C20A H20F 0.9800 . ?
C8A H8A1 0.9800 . ?
C8A H8A2 0.9800 . ?
C8A H8A3 0.9800 . ?
C10A H10C 0.9900 . ?
C10A H10D 0.9900 . ?
C10A C11A 1.528(14) . ?
C9A H9A1 0.9800 . ?
C9A H9A2 0.9800 . ?
C9A H9A3 0.9800 . ?
C13A H13D 0.9800 . ?
C13A H13E 0.9800 . ?
C13A H13F 0.9800 . ?
C12A H12D 0.9800 . ?
C12A H12E 0.9800 . ?
C12A H12F 0.9800 . ?
C11A H11C 0.9900 . ?
C11A H11D 0.9900 . ?

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
C1 Cr1 Na1 51.81(15) . . ?
C1 Cr1 Na2 154.30(16) . . ?
C1 Cr1 Na3 63.03(14) . . ?
C1 Cr1 C7 99.8(2) . . ?
Cr2 Cr1 Na1 73.75(4) . . ?
Cr2 Cr1 C1 111.03(13) . . ?
Cr2 Cr1 Na2 72.26(4) . . ?
Cr2 Cr1 Na3 71.06(4) . . ?
Cr2 Cr1 C3 112.43(14) . . ?
Cr2 Cr1 C5 112.21(17) . . ?
Cr2 Cr1 C7 65.6(2) . . ?
Na2 Cr1 Na1 144.71(5) . . ?
Na2 Cr1 Na3 96.11(5) . . ?
Na3 Cr1 Na1 81.54(5) . . ?
C3 Cr1 Na1 136.72(14) . . ?
C3 Cr1 C1 88.8(2) . . ?
C3 Cr1 Na2 67.28(15) . . ?
C3 Cr1 Na3 62.52(12) . . ?
C3 Cr1 C7 171.3(2) . . ?
C5 Cr1 Na1 131.04(18) . . ?
C5 Cr1 C1 134.34(19) . . ?
C5 Cr1 Na2 57.37(15) . . ?
C5 Cr1 Na3 147.38(18) . . ?
C5 Cr1 C3 88.0(2) . . ?
C5 Cr1 C7 85.3(2) . . ?
C7 Cr1 Na1 51.69(14) . . ?
C7 Cr1 Na2 104.40(16) . . ?
C7 Cr1 Na3 122.48(19) . . ?
Cr1 Na1 Cr2 34.59(2) . . ?
Cr1 Na1 Na3 47.23(3) . . ?
Cr1 Na1 H2A 90.8(11) . . ?
Cr1 Na1 H1B 59.3(9) . . ?
Cr1 Na1 H2B 79.8(11) . . ?
Cr1 Na1 H7A 54.5(14) . . ?
Cr1 Na1 H7B 61.7(13) . . ?
Cr1 Na1 H1C 54.5(13) . . ?
N1 Na1 Cr1 153.64(12) . . ?
N1 Na1 C1 112.15(15) . . ?
N1 Na1 Cr2 147.01(10) . . ?
N1 Na1 N2 72.26(12) . . ?
N1 Na1 C2 105.35(14) . . ?
N1 Na1 Na3 111.26(10) . . ?
N1 Na1 C7 161.29(19) . . ?
N1 Na1 C8A 27.8(5) . . ?
N1 Na1 C13A 84.5(9) . . ?
N1 Na1 H2A 95.1(10) . . ?
N1 Na1 H1B 94.3(9) . . ?
N1 Na1 H2B 89.1(11) . . ?
N1 Na1 H7A 145.1(15) . . ?
N1 Na1 H7B 144.2(13) . . ?
N1 Na1 H1C 105.7(12) . . ?
C1 Na1 Cr1 42.74(10) . . ?
C1 Na1 Cr2 70.56(11) . . ?
C1 Na1 N2 132.43(15) . . ?
C1 Na1 C2 88.23(17) . . ?
C1 Na1 Na3 43.02(12) . . ?
C1 Na1 C7 84.8(2) . . ?
C1 Na1 C8A 132.1(7) . . ?
C1 Na1 C13A 102.9(6) . . ?
C1 Na1 H2A 113.3(11) . . ?
C1 Na1 H1B 22.2(8) . . ?
C1 Na1 H2B 80.9(10) . . ?
C1 Na1 H7A 83.7(13) . . ?
C1 Na1 H7B 103.6(13) . . ?
C1 Na1 H1C 22.0(13) . . ?
Cr2 Na1 Na3 46.89(3) . . ?
Cr2 Na1 H2A 56.9(10) . . ?
Cr2 Na1 H1B 78.0(8) . . ?
Cr2 Na1 H2B 58.3(11) . . ?
Cr2 Na1 H7A 66.7(14) . . ?
Cr2 Na1 H7B 48.7(13) . . ?
Cr2 Na1 H1C 87.4(13) . . ?
N2 Na1 Cr1 128.20(9) . . ?
N2 Na1 Cr2 131.84(9) . . ?
N2 Na1 Na3 174.75(10) . . ?
N2 Na1 C8A 74.2(8) . . ?
N2 Na1 C13A 29.7(6) . . ?
N2 Na1 H2A 113.4(11) . . ?
N2 Na1 H1B 141.4(8) . . ?
N2 Na1 H2B 145.7(10) . . ?
N2 Na1 H7A 74.3(15) . . ?
N2 Na1 H7B 83.2(13) . . ?
N2 Na1 H1C 110.7(14) . . ?
C2 Na1 Cr1 71.44(11) . . ?
C2 Na1 Cr2 41.93(11) . . ?
C2 Na1 N2 138.02(15) . . ?
C2 Na1 Na3 45.74(12) . . ?
C2 Na1 C8A 85.7(7) . . ?
C2 Na1 C13A 161.3(8) . . ?
C2 Na1 H2A 25.0(11) . . ?
C2 Na1 H1B 80.0(8) . . ?
C2 Na1 H2B 21.7(10) . . ?
C2 Na1 H7A 106.1(14) . . ?
C2 Na1 H7B 76.0(12) . . ?
C2 Na1 H1C 110.2(14) . . ?
Na3 Na1 H2A 70.7(11) . . ?
Na3 Na1 H1B 36.1(8) . . ?
Na3 Na1 H2B 39.4(10) . . ?
Na3 Na1 H7A 101.5(15) . . ?
Na3 Na1 H7B 95.3(13) . . ?
Na3 Na1 H1C 64.9(14) . . ?
C7 Na1 Cr1 44.85(16) . . ?
C7 Na1 Cr2 44.66(15) . . ?
C7 Na1 N2 90.55(16) . . ?
C7 Na1 C2 82.3(2) . . ?
C7 Na1 Na3 86.43(14) . . ?
C7 Na1 C8A 140.8(6) . . ?
C7 Na1 C13A 83.9(10) . . ?
C7 Na1 H2A 84.8(10) . . ?
C7 Na1 H1B 103.9(9) . . ?
C7 Na1 H2B 101.9(11) . . ?
C7 Na1 H7A 23.9(13) . . ?
C7 Na1 H7B 20.2(12) . . ?
C7 Na1 H1C 87.0(12) . . ?
C8A Na1 Cr1 156.0(7) . . ?
C8A Na1 Cr2 126.0(6) . . ?
C8A Na1 Na3 110.8(8) . . ?
C8A Na1 H2A 69.6(11) . . ?
C8A Na1 H1B 110.5(11) . . ?
C8A Na1 H2B 76.2(13) . . ?
C8A Na1 H7A 143.4(16) . . ?
C8A Na1 H7B 120.7(14) . . ?
C8A Na1 H1C 132.0(13) . . ?
C13A Na1 Cr1 106.7(8) . . ?
C13A Na1 Cr2 127.9(9) . . ?
C13A Na1 Na3 145.4(6) . . ?
C13A Na1 C8A 97.3(11) . . ?
C13A Na1 H2A 140.7(13) . . ?
C13A Na1 H1B 115.6(11) . . ?
C13A Na1 H2B 173.4(14) . . ?
C13A Na1 H7A 61.2(17) . . ?
C13A Na1 H7B 86.7(15) . . ?
C13A Na1 H1C 81.5(15) . . ?
H2A Na1 H1B 103.6(14) . . ?
H2A Na1 H2B 38.3(14) . . ?
H2A Na1 H7A 107.2(16) . . ?
H2A Na1 H7B 70.9(15) . . ?
H2A Na1 H1C 135.2(18) . . ?
H1B Na1 H2B 66.4(13) . . ?
H1B Na1 H7A 105.7(16) . . ?
H1B Na1 H7B 120.6(16) . . ?
H1B Na1 H1C 37.0(15) . . ?
H2B Na1 H7A 124.9(18) . . ?
H2B Na1 H7B 97.6(16) . . ?
H2B Na1 H1C 101.8(17) . . ?
H7A Na1 H7B 36.9(16) . . ?
H7A Na1 H1C 77.1(18) . . ?
H7B Na1 H1C 107.2(18) . . ?
C8 N1 Na1 114.0(3) . . ?
C8 N1 C9 109.1(5) . . ?
C8 N1 C10 109.0(4) . . ?
C9 N1 Na1 105.7(3) . . ?
C10 N1 Na1 109.0(3) . . ?
C10 N1 C9 109.9(4) . . ?
C8A N1 Na1 100.8(15) . . ?
C10A N1 Na1 104.3(13) . . ?
C10A N1 C8A 110(2) . . ?
C10A N1 C9A 122(2) . . ?
C9A N1 Na1 109.9(17) . . ?
C9A N1 C8A 108(2) . . ?
Cr1 C1 Na1 85.44(18) . . ?
Cr1 C1 Na3 73.17(14) . . ?
Cr1 C1 H1A 108(3) . . ?
Cr1 C1 H1B 127(2) . . ?
Cr1 C1 H1C 109(3) . . ?
Na1 C1 Na3 99.13(16) . . ?
Na1 C1 H1A 166(3) . . ?
Na1 C1 H1B 72(2) . . ?
Na1 C1 H1C 67(3) . . ?
Na3 C1 H1A 90(3) . . ?
Na3 C1 H1B 65(2) . . ?
Na3 C1 H1C 165(3) . . ?
H1A C1 H1B 102(3) . . ?
H1A C1 H1C 104(4) . . ?
H1B C1 H1C 104(4) . . ?
Cr1 Cr2 Na1 71.66(4) . . ?
Cr1 Cr2 Na2 70.31(4) . . ?
Cr1 Cr2 C2 112.48(13) . . ?
Cr1 Cr2 Na3 71.81(4) . . ?
Cr1 Cr2 C4 111.54(16) . . ?
Cr1 Cr2 C6 112.21(17) . . ?
Cr1 Cr2 C7 64.8(2) . . ?
Na2 Cr2 Na1 140.82(5) . . ?
C2 Cr2 Na1 51.69(14) . . ?
C2 Cr2 Na2 158.55(15) . . ?
C2 Cr2 Na3 66.64(14) . . ?
C2 Cr2 C7 97.0(2) . . ?
Na3 Cr2 Na1 81.14(5) . . ?
Na3 Cr2 Na2 95.66(5) . . ?
C4 Cr2 Na1 134.48(13) . . ?
C4 Cr2 Na2 70.18(15) . . ?
C4 Cr2 C2 89.7(2) . . ?
C4 Cr2 Na3 59.36(14) . . ?
C4 Cr2 C7 173.2(2) . . ?
C6 Cr2 Na1 133.70(18) . . ?
C6 Cr2 Na2 57.14(15) . . ?
C6 Cr2 C2 132.4(2) . . ?
C6 Cr2 Na3 145.08(18) . . ?
C6 Cr2 C4 88.8(2) . . ?
C6 Cr2 C7 87.5(2) . . ?
C7 Cr2 Na1 50.99(14) . . ?
C7 Cr2 Na2 102.98(18) . . ?
C7 Cr2 Na3 122.48(18) . . ?
Cr1 Na2 Cr2 37.43(3) . . ?
Cr1 Na2 C4 68.14(10) . . ?
Cr1 Na2 H6A 93.1(12) . . ?
Cr1 Na2 H4A 80.5(11) . . ?
Cr1 Na2 H5A 59.6(10) . . ?
Cr1 Na2 H5C 58.4(11) . . ?
Cr1 Na2 H3A 59.9(13) . . ?
Cr2 Na2 C4 41.77(11) . . ?
Cr2 Na2 H6A 58.9(12) . . ?
Cr2 Na2 H4A 58.4(12) . . ?
Cr2 Na2 H5A 78.4(10) . . ?
Cr2 Na2 H5C 92.4(11) . . ?
Cr2 Na2 H3A 84.0(13) . . ?
N3 Na2 Cr1 146.83(10) . . ?
N3 Na2 Cr2 132.76(10) . . ?
N3 Na2 C3 107.44(15) . . ?
N3 Na2 N4 72.80(12) . . ?
N3 Na2 C4 91.33(14) . . ?
N3 Na2 C5 150.05(18) . . ?
N3 Na2 C6 120.81(17) . . ?
N3 Na2 H6A 100.8(12) . . ?
N3 Na2 H4A 75.3(12) . . ?
N3 Na2 H5A 148.4(10) . . ?
N3 Na2 H5C 129.7(11) . . ?
N3 Na2 H3A 91.0(13) . . ?
C3 Na2 Cr1 42.78(11) . . ?
C3 Na2 Cr2 69.62(10) . . ?
C3 Na2 C4 72.55(13) . . ?
C3 Na2 H6A 127.6(11) . . ?
C3 Na2 H4A 73.3(10) . . ?
C3 Na2 H5A 86.9(10) . . ?
C3 Na2 H5C 63.2(11) . . ?
C3 Na2 H3A 17.1(13) . . ?
N4 Na2 Cr1 136.87(10) . . ?
N4 Na2 Cr2 142.01(12) . . ?
N4 Na2 C3 137.19(14) . . ?
N4 Na2 C4 148.93(14) . . ?
N4 Na2 C6 100.82(16) . . ?
N4 Na2 H6A 92.8(11) . . ?
N4 Na2 H4A 141.5(10) . . ?
N4 Na2 H5A 77.6(10) . . ?
N4 Na2 H5C 83.5(10) . . ?
N4 Na2 H3A 128.5(12) . . ?
C4 Na2 H6A 63.5(11) . . ?
C4 Na2 H4A 16.8(12) . . ?
C4 Na2 H5A 120.1(10) . . ?
C4 Na2 H5C 125.9(10) . . ?
C4 Na2 H3A 76.9(12) . . ?
C5 Na2 Cr1 44.84(11) . . ?
C5 Na2 Cr2 74.13(13) . . ?
C5 Na2 C3 65.54(16) . . ?
C5 Na2 N4 92.68(14) . . ?
C5 Na2 C4 112.31(15) . . ?
C5 Na2 C6 87.1(2) . . ?
C5 Na2 H6A 106.1(13) . . ?
C5 Na2 H4A 125.3(11) . . ?
C5 Na2 H5A 21.5(9) . . ?
C5 Na2 H5C 20.3(11) . . ?
C5 Na2 H3A 77.5(12) . . ?
C6 Na2 Cr1 74.51(12) . . ?
C6 Na2 Cr2 44.33(10) . . ?
C6 Na2 C3 113.52(15) . . ?
C6 Na2 C4 64.06(18) . . ?
C6 Na2 H6A 20.2(12) . . ?
C6 Na2 H4A 77.7(12) . . ?
C6 Na2 H5A 75.2(10) . . ?
C6 Na2 H5C 106.6(12) . . ?
C6 Na2 H3A 128.4(13) . . ?
H6A Na2 H4A 72.5(16) . . ?
H6A Na2 H5A 91.4(16) . . ?
H6A Na2 H5C 124.6(16) . . ?
H6A Na2 H3A 138.6(16) . . ?
H4A Na2 H5A 136.3(15) . . ?
H4A Na2 H5C 134.3(14) . . ?
H4A Na2 H3A 72.5(15) . . ?
H5A Na2 H5C 33.7(14) . . ?
H5A Na2 H3A 98.9(15) . . ?
H5C Na2 H3A 70.0(16) . . ?
C11 N2 Na1 107.4(4) . . ?
C11 N2 C12 110.5(5) . . ?
C12 N2 Na1 104.3(4) . . ?
C13 N2 Na1 116.3(4) . . ?
C13 N2 C11 109.3(5) . . ?
C13 N2 C12 108.9(5) . . ?
C13A N2 Na1 91(2) . . ?
C12A N2 Na1 123(3) . . ?
C12A N2 C13A 115(3) . . ?
C12A N2 C11A 106(3) . . ?
C11A N2 Na1 111(2) . . ?
C11A N2 C13A 111(4) . . ?
Na1 C2 Na3 95.67(16) . . ?
Na1 C2 H2A 66(2) . . ?
Na1 C2 H2B 68(3) . . ?
Na1 C2 H2C 171(3) . . ?
Cr2 C2 Na1 86.38(17) . . ?
Cr2 C2 Na3 70.46(13) . . ?
Cr2 C2 H2A 113(2) . . ?
Cr2 C2 H2B 127(3) . . ?
Cr2 C2 H2C 102(3) . . ?
Na3 C2 H2A 161(2) . . ?
Na3 C2 H2B 67(3) . . ?
Na3 C2 H2C 90(3) . . ?
H2A C2 H2B 99(3) . . ?
H2A C2 H2C 107(4) . . ?
H2B C2 H2C 108(4) . . ?
Cr1 Na3 Na1 51.23(4) . . ?
Cr1 Na3 H1B 61.2(8) . . ?
Cr1 Na3 H4C 92.1(11) . . ?
Cr1 Na3 H3B 60.7(13) . . ?
Na1 Na3 H1B 33.7(8) . . ?
Na1 Na3 H4C 104.3(12) . . ?
Na1 Na3 H3B 103.2(12) . . ?
C1 Na3 Cr1 43.80(9) . . ?
C1 Na3 Na1 37.85(12) . . ?
C1 Na3 Cr2 71.06(10) . . ?
C1 Na3 C2 76.02(16) . . ?
C1 Na3 H1B 19.8(8) . . ?
C1 Na3 H4C 131.9(11) . . ?
C1 Na3 H3B 69.7(12) . . ?
Cr2 Na3 Cr1 37.13(2) . . ?
Cr2 Na3 Na1 51.97(4) . . ?
Cr2 Na3 H1B 80.6(8) . . ?
Cr2 Na3 H4C 60.8(11) . . ?
Cr2 Na3 H3B 91.7(13) . . ?
C2 Na3 Cr1 69.78(10) . . ?
C2 Na3 Na1 38.59(11) . . ?
C2 Na3 Cr2 42.91(9) . . ?
C2 Na3 H1B 70.7(8) . . ?
C2 Na3 H4C 69.6(12) . . ?
C2 Na3 H3B 130.5(13) . . ?
C3 Na3 Cr1 43.24(11) . . ?
C3 Na3 Na1 91.61(12) . . ?
C3 Na3 C1 65.64(15) . . ?
C3 Na3 Cr2 71.39(11) . . ?
C3 Na3 C2 111.75(15) . . ?
C3 Na3 H1B 84.9(8) . . ?
C3 Na3 H4C 97.1(10) . . ?
C3 Na3 H3B 20.4(12) . . ?
C4 Na3 Cr1 72.56(11) . . ?
C4 Na3 Na1 93.60(13) . . ?
C4 Na3 C1 114.07(15) . . ?
C4 Na3 Cr2 44.27(12) . . ?
C4 Na3 C2 66.06(17) . . ?
C4 Na3 C3 80.86(16) . . ?
C4 Na3 H1B 124.8(8) . . ?
C4 Na3 H4C 19.7(10) . . ?
C4 Na3 H3B 96.8(12) . . ?
N5 Na3 Cr1 130.41(12) . . ?
N5 Na3 Na1 157.87(12) . . ?
N5 Na3 C1 123.99(16) . . ?
N5 Na3 Cr2 146.21(12) . . ?
N5 Na3 C2 157.86(16) . . ?
N5 Na3 C3 87.24(16) . . ?
N5 Na3 C4 108.00(18) . . ?
N5 Na3 H1B 124.3(8) . . ?
N5 Na3 H4C 97.8(12) . . ?
N5 Na3 H3B 70.2(13) . . ?
N6 Na3 Cr1 157.14(15) . . ?
N6 Na3 Na1 106.76(14) . . ?
N6 Na3 C1 124.63(16) . . ?
N6 Na3 Cr2 127.62(14) . . ?
N6 Na3 C2 88.85(17) . . ?
N6 Na3 C3 159.27(18) . . ?
N6 Na3 C4 106.82(16) . . ?
N6 Na3 N5 72.12(17) . . ?
N6 Na3 H1B 104.9(8) . . ?
N6 Na3 H4C 87.7(11) . . ?
N6 Na3 H3B 140.1(13) . . ?
N5A Na3 Cr1 133.9(5) . . ?
N5A Na3 Na1 147.1(5) . . ?
N5A Na3 C1 117.2(5) . . ?
N5A Na3 Cr2 157.3(4) . . ?
N5A Na3 C2 156.0(4) . . ?
N5A Na3 C3 92.2(4) . . ?
N5A Na3 C4 119.3(5) . . ?
N5A Na3 N6A 71.5(6) . . ?
N5A Na3 H1B 114.4(10) . . ?
N5A Na3 H4C 107.6(13) . . ?
N5A Na3 H3B 73.3(13) . . ?
N6A Na3 Cr1 154.6(5) . . ?
N6A Na3 Na1 108.9(5) . . ?
N6A Na3 C1 132.6(6) . . ?
N6A Na3 Cr2 120.1(4) . . ?
N6A Na3 C2 84.9(5) . . ?
N6A Na3 C3 159.5(5) . . ?
N6A Na3 C4 96.0(5) . . ?
N6A Na3 H1B 112.8(10) . . ?
N6A Na3 H4C 76.9(12) . . ?
N6A Na3 H3B 144.5(13) . . ?
H1B Na3 H4C 137.9(14) . . ?
H1B Na3 H3B 86.1(14) . . ?
H4C Na3 H3B 109.7(16) . . ?
C14 N3 Na2 109.5(3) . . ?
C14 N3 C16 110.4(4) . . ?
C15 N3 Na2 110.5(3) . . ?
C15 N3 C14 109.6(4) . . ?
C15 N3 C16 110.0(4) . . ?
C16 N3 Na2 106.9(3) . . ?
Cr1 C3 Na2 69.94(14) . . ?
Cr1 C3 Na3 74.25(14) . . ?
Cr1 C3 H3B 118(3) . . ?
Cr1 C3 H3C 106(3) . . ?
Cr1 C3 H3A 121(3) . . ?
Na2 C3 H3B 145(3) . . ?
Na2 C3 H3C 108(3) . . ?
Na2 C3 H3A 51(3) . . ?
Na3 C3 Na2 102.79(16) . . ?
Na3 C3 H3B 53(3) . . ?
Na3 C3 H3C 147(3) . . ?
Na3 C3 H3A 114(3) . . ?
H3B C3 H3C 103(4) . . ?
H3B C3 H3A 111(4) . . ?
H3C C3 H3A 94(4) . . ?
C17 N4 Na2 103.7(3) . . ?
C18 N4 Na2 108.7(3) . . ?
C18 N4 C17 106.6(4) . . ?
C19 N4 Na2 115.6(3) . . ?
C19 N4 C17 113.4(4) . . ?
C19 N4 C18 108.3(4) . . ?
Cr2 C4 Na2 68.05(13) . . ?
Cr2 C4 Na3 76.37(15) . . ?
Cr2 C4 H4A 123(3) . . ?
Cr2 C4 H4B 105(3) . . ?
Cr2 C4 H4C 123(3) . . ?
Na2 C4 H4A 56(3) . . ?
Na2 C4 H4B 106(3) . . ?
Na2 C4 H4C 150(3) . . ?
Na3 C4 Na2 102.37(17) . . ?
Na3 C4 H4A 104(3) . . ?
Na3 C4 H4B 150(3) . . ?
Na3 C4 H4C 59(2) . . ?
H4A C4 H4B 100(4) . . ?
H4A C4 H4C 103(4) . . ?
H4B C4 H4C 98(4) . . ?
C20 N5 Na3 111.4(4) . . ?
C20 N5 C22 111.1(6) . . ?
C21 N5 Na3 111.4(4) . . ?
C21 N5 C20 108.0(5) . . ?
C21 N5 C22 108.4(5) . . ?
C22 N5 Na3 106.5(4) . . ?
C23 N6 Na3 107.1(4) . . ?
C24 N6 Na3 108.6(4) . . ?
C24 N6 C23 110.1(5) . . ?
C24 N6 C25 108.1(9) . . ?
C25 N6 Na3 113.2(9) . . ?
C25 N6 C23 109.6(8) . . ?
Cr1 C5 Na2 77.79(15) . . ?
Cr1 C5 H5A 123(3) . . ?
Cr1 C5 H5B 102(3) . . ?
Cr1 C5 H5C 118(3) . . ?
Na2 C5 H5A 81(2) . . ?
Na2 C5 H5B 171(3) . . ?
Na2 C5 H5C 71(3) . . ?
H5A C5 H5B 106(4) . . ?
H5A C5 H5C 104(4) . . ?
H5B C5 H5C 102(4) . . ?
Cr2 C6 Na2 78.54(16) . . ?
Cr2 C6 H6A 121(3) . . ?
Cr2 C6 H6B 126(3) . . ?
Cr2 C6 H6C 97(3) . . ?
Na2 C6 H6A 69(3) . . ?
Na2 C6 H6B 93(3) . . ?
Na2 C6 H6C 166(3) . . ?
H6A C6 H6B 104(4) . . ?
H6A C6 H6C 103(4) . . ?
H6B C6 H6C 100(4) . . ?
Cr1 C7 Na1 83.46(19) . . ?
Cr1 C7 Cr2 49.66(12) . . ?
Cr1 C7 H7A 100(3) . . ?
Cr1 C7 H7B 132(3) . . ?
Cr1 C7 H7C 115(4) . . ?
Na1 C7 H7A 69(3) . . ?
Na1 C7 H7B 66(3) . . ?
Na1 C7 H7C 162(4) . . ?
Cr2 C7 Na1 84.34(19) . . ?
Cr2 C7 H7A 143(3) . . ?
Cr2 C7 H7B 89(3) . . ?
Cr2 C7 H7C 109(4) . . ?
H7A C7 H7B 102(4) . . ?
H7A C7 H7C 103(4) . . ?
H7B C7 H7C 101(5) . . ?
N1 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
N1 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N1 C9 H9A 109.5 . . ?
N1 C9 H9B 109.5 . . ?
N1 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N1 C10 H10A 108.9 . . ?
N1 C10 H10B 108.9 . . ?
N1 C10 C11 113.5(5) . . ?
H10A C10 H10B 107.7 . . ?
C11 C10 H10A 108.9 . . ?
C11 C10 H10B 108.9 . . ?
N2 C11 C10 113.5(6) . . ?
N2 C11 H11A 108.9 . . ?
N2 C11 H11B 108.9 . . ?
C10 C11 H11A 108.9 . . ?
C10 C11 H11B 108.9 . . ?
H11A C11 H11B 107.7 . . ?
N2 C12 H12A 109.5 . . ?
N2 C12 H12B 109.5 . . ?
N2 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N2 C13 H13A 109.5 . . ?
N2 C13 H13B 109.5 . . ?
N2 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N3 C14 H14A 109.5 . . ?
N3 C14 H14B 109.5 . . ?
N3 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N3 C15 H15A 109.5 . . ?
N3 C15 H15B 109.5 . . ?
N3 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N3 C16 H16A 108.9 . . ?
N3 C16 H16B 108.9 . . ?
N3 C16 C17 113.2(4) . . ?
H16A C16 H16B 107.8 . . ?
C17 C16 H16A 108.9 . . ?
C17 C16 H16B 108.9 . . ?
N4 C17 C16 112.5(4) . . ?
N4 C17 H17A 109.1 . . ?
N4 C17 H17B 109.1 . . ?
C16 C17 H17A 109.1 . . ?
C16 C17 H17B 109.1 . . ?
H17A C17 H17B 107.8 . . ?
N4 C18 H18A 109.5 . . ?
N4 C18 H18B 109.5 . . ?
N4 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N4 C19 H19A 109.5 . . ?
N4 C19 H19B 109.5 . . ?
N4 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N5 C20 H20A 109.5 . . ?
N5 C20 H20B 109.5 . . ?
N5 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N5 C21 H21A 109.5 . . ?
N5 C21 H21B 109.5 . . ?
N5 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N5 C22 H22A 108.8 . . ?
N5 C22 H22B 108.8 . . ?
N5 C22 C23 113.9(5) . . ?
H22A C22 H22B 107.7 . . ?
C23 C22 H22A 108.8 . . ?
C23 C22 H22B 108.8 . . ?
N6 C23 C22 113.0(5) . . ?
N6 C23 H23A 109.0 . . ?
N6 C23 H23B 109.0 . . ?
C22 C23 H23A 109.0 . . ?
C22 C23 H23B 109.0 . . ?
H23A C23 H23B 107.8 . . ?
N6 C24 H24A 109.5 . . ?
N6 C24 H24B 109.5 . . ?
N6 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N6 C25 H25A 109.5 . . ?
N6 C25 H25B 109.5 . . ?
N6 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
H26A C22A H26B 108.0 . . ?
C23A C22A H26A 109.4 . . ?
C23A C22A H26B 109.4 . . ?
N5A C22A H26A 109.4 . . ?
N5A C22A H26B 109.4 . . ?
N5A C22A C23A 111.4(17) . . ?
C22A C23A H27A 109.0 . . ?
C22A C23A H27B 109.0 . . ?
H27A C23A H27B 107.8 . . ?
N6A C23A C22A 112.7(18) . . ?
N6A C23A H27A 109.0 . . ?
N6A C23A H27B 109.0 . . ?
C22A N5A Na3 110.5(16) . . ?
C21A N5A Na3 104.2(18) . . ?
C21A N5A C22A 111(2) . . ?
C21A N5A C20A 113(2) . . ?
C20A N5A Na3 114(2) . . ?
C20A N5A C22A 105(2) . . ?
C23A N6A Na3 108.0(16) . . ?
C24A N6A Na3 117.4(19) . . ?
C24A N6A C23A 109(2) . . ?
C24A N6A C25A 111(4) . . ?
C25A N6A Na3 103(4) . . ?
C25A N6A C23A 108(3) . . ?
N5A C21A H21D 109.5 . . ?
N5A C21A H21E 109.5 . . ?
N5A C21A H21F 109.5 . . ?
H21D C21A H21E 109.5 . . ?
H21D C21A H21F 109.5 . . ?
H21E C21A H21F 109.5 . . ?
N6A C24A H24D 109.5 . . ?
N6A C24A H24E 109.5 . . ?
N6A C24A H24F 109.5 . . ?
H24D C24A H24E 109.5 . . ?
H24D C24A H24F 109.5 . . ?
H24E C24A H24F 109.5 . . ?
N6A C25A H25D 109.5 . . ?
N6A C25A H25E 109.5 . . ?
N6A C25A H25F 109.5 . . ?
H25D C25A H25E 109.5 . . ?
H25D C25A H25F 109.5 . . ?
H25E C25A H25F 109.5 . . ?
N5A C20A H20D 109.5 . . ?
N5A C20A H20E 109.5 . . ?
N5A C20A H20F 109.5 . . ?
H20D C20A H20E 109.5 . . ?
H20D C20A H20F 109.5 . . ?
H20E C20A H20F 109.5 . . ?
Na1 C8A H8A1 85.2 . . ?
Na1 C8A H8A2 76.6 . . ?
Na1 C8A H8A3 160.0 . . ?
N1 C8A Na1 51.4(11) . . ?
N1 C8A H8A1 109.5 . . ?
N1 C8A H8A2 109.5 . . ?
N1 C8A H8A3 109.5 . . ?
H8A1 C8A H8A2 109.5 . . ?
H8A1 C8A H8A3 109.5 . . ?
H8A2 C8A H8A3 109.5 . . ?
N1 C10A H10C 108.0 . . ?
N1 C10A H10D 108.0 . . ?
N1 C10A C11A 117(4) . . ?
H10C C10A H10D 107.2 . . ?
C11A C10A H10C 108.0 . . ?
C11A C10A H10D 108.0 . . ?
N1 C9A H9A1 109.5 . . ?
N1 C9A H9A2 109.5 . . ?
N1 C9A H9A3 109.5 . . ?
H9A1 C9A H9A2 109.5 . . ?
H9A1 C9A H9A3 109.5 . . ?
H9A2 C9A H9A3 109.5 . . ?
Na1 C13A H13D 100.5 . . ?
Na1 C13A H13E 57.1 . . ?
Na1 C13A H13F 150.0 . . ?
N2 C13A Na1 59.6(17) . . ?
N2 C13A H13D 109.5 . . ?
N2 C13A H13E 109.5 . . ?
N2 C13A H13F 109.5 . . ?
H13D C13A H13E 109.5 . . ?
H13D C13A H13F 109.5 . . ?
H13E C13A H13F 109.5 . . ?
N2 C12A H12D 109.5 . . ?
N2 C12A H12E 109.5 . . ?
N2 C12A H12F 109.5 . . ?
H12D C12A H12E 109.5 . . ?
H12D C12A H12F 109.5 . . ?
H12E C12A H12F 109.5 . . ?
N2 C11A C10A 108(2) . . ?
N2 C11A H11C 110.0 . . ?
N2 C11A H11D 110.0 . . ?
C10A C11A H11C 110.0 . . ?
C10A C11A H11D 110.0 . . ?
H11C C11A H11D 108.4 . . ?

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
Na1 N1 C10 C11 -45.1(5) . . . . ?
Na1 N1 C10A C11A 55(3) . . . . ?
Na1 N2 C11 C10 -37.6(6) . . . . ?
Na1 N2 C11A C10A 28(6) . . . . ?
N1 C10 C11 N2 59.3(7) . . . . ?
N1 C10A C11A N2 -59(6) . . . . ?
Na2 N3 C16 C17 -41.6(5) . . . . ?
Na2 N4 C17 C16 -49.8(4) . . . . ?
Na3 N5 C22 C23 -44.2(5) . . . . ?
Na3 N6 C23 C22 -43.2(5) . . . . ?
N3 C16 C17 N4 67.4(5) . . . . ?
N5 C22 C23 N6 63.8(7) . . . . ?
C8 N1 C10 C11 -170.1(5) . . . . ?
C8 N1 C8A Na1 -112.5(13) . . . . ?
C8 N1 C10A C11A -103(3) . . . . ?
C9 N1 C10 C11 70.4(6) . . . . ?
C9 N1 C8A Na1 -159(4) . . . . ?
C9 N1 C10A C11A 157(3) . . . . ?
C10 N1 C8A Na1 106.5(6) . . . . ?
C10 N1 C10A C11A -48(3) . . . . ?
C11 N2 C13A Na1 107.8(5) . . . . ?
C11 N2 C11A C10A -47(9) . . . . ?
C12 N2 C11 C10 75.6(7) . . . . ?
C12 N2 C13A Na1 -113(3) . . . . ?
C12 N2 C11A C10A 137(4) . . . . ?
C13 N2 C11 C10 -164.6(6) . . . . ?
C13 N2 C13A Na1 -142(4) . . . . ?
C13 N2 C11A C10A -108(5) . . . . ?
C14 N3 C16 C17 77.4(5) . . . . ?
C15 N3 C16 C17 -161.6(4) . . . . ?
C18 N4 C17 C16 -164.5(4) . . . . ?
C19 N4 C17 C16 76.4(5) . . . . ?
C20 N5 C22 C23 77.3(7) . . . . ?
C21 N5 C22 C23 -164.2(5) . . . . ?
C24 N6 C23 C22 74.6(7) . . . . ?
C25 N6 C23 C22 -166.5(10) . . . . ?
C22A C23A N6A Na3 42(2) . . . . ?
C22A C23A N6A C24A 170(2) . . . . ?
C22A C23A N6A C25A -69(4) . . . . ?
C23A C22A N5A Na3 44(2) . . . . ?
C23A C22A N5A C21A -71(3) . . . . ?
C23A C22A N5A C20A 167(2) . . . . ?
N5A C22A C23A N6A -60(3) . . . . ?
C8A N1 C10 C11 -139.8(17) . . . . ?
C8A N1 C10A C11A -52(4) . . . . ?
C10A N1 C10 C11 45(2) . . . . ?
C10A N1 C8A Na1 109.8(16) . . . . ?
C9A N1 C10 C11 127(3) . . . . ?
C9A N1 C8A Na1 -115.1(19) . . . . ?
C9A N1 C10A C11A -180(3) . . . . ?
C13A N2 C11 C10 -131(2) . . . . ?
C13A N2 C11A C10A -72(6) . . . . ?
C12A N2 C11 C10 105(3) . . . . ?
C12A N2 C13A Na1 -127(4) . . . . ?
C12A N2 C11A C10A 163(5) . . . . ?
C11A N2 C11 C10 72(13) . . . . ?
C11A N2 C13A Na1 113(2) . . . . ?

_olex2_submission_original_sample_id RM08
_olex2_submission_special_instructions 'No special instructions were received'
_chemical_properties_physical    
', Air-sensitive,Moisture-sensitive,Oxygen-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_srrc902
_database_code_depnum_ccdc_archive 'CCDC 1519879'
_audit_update_record             
;
2016-11-29 deposited with the CCDC.
2017-01-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H88 Mo2 N8 Na4'
_chemical_formula_sum            'C32 H88 Mo2 N8 Na4'
_chemical_formula_weight         868.94

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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'
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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'

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

_cell_length_a                   11.3776(2)
_cell_length_b                   17.0310(4)
_cell_length_c                   12.7810(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 105.031(2)
_cell_angle_gamma                90.00
_cell_volume                     2391.86(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    7009
_cell_measurement_theta_min      2.7781
_cell_measurement_theta_max      29.0896

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.207
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             928
_exptl_absorpt_coefficient_mu    0.589
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.99090
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov  6 2009,16:24:50)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Oxford Diffraction Gemini S'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            15939
_diffrn_reflns_av_R_equivalents  0.0358
_diffrn_reflns_av_sigmaI/netI    0.0647
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.78
_diffrn_reflns_theta_max         29.16
_reflns_number_total             5647
_reflns_number_gt                4010
_reflns_threshold_expression     I>2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov  6 2009,16:24:50)
;
_computing_cell_refinement       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov  6 2009,16:24:50)
;
_computing_data_reduction        
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov  6 2009,16:24:50)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0161P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5647
_refine_ls_number_parameters     264
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0495
_refine_ls_R_factor_gt           0.0275
_refine_ls_wR_factor_ref         0.0461
_refine_ls_wR_factor_gt          0.0438
_refine_ls_goodness_of_fit_ref   0.851
_refine_ls_restrained_S_all      0.851
_refine_ls_shift/su_max          0.002
_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
Mo1 Mo 0.949636(13) 0.046626(9) 0.952662(12) 0.01444(5) Uani 1 1 d . . .
Na1 Na 1.17858(6) 0.00748(4) 0.86830(5) 0.02369(18) Uani 1 1 d . . .
Na2 Na 1.14301(6) 0.11673(4) 1.15209(6) 0.02350(18) Uani 1 1 d . . .
N1 N 1.25820(15) -0.06868(10) 0.72287(14) 0.0316(4) Uani 1 1 d . . .
N2 N 1.34388(14) 0.09218(10) 0.81233(14) 0.0318(4) Uani 1 1 d . . .
N3 N 1.23064(14) 0.25913(10) 1.17409(13) 0.0283(4) Uani 1 1 d . . .
N4 N 1.27121(14) 0.13569(10) 1.35128(13) 0.0309(4) Uani 1 1 d . . .
C1 C 0.89765(19) 0.13471(13) 1.07154(18) 0.0223(5) Uani 1 1 d . . .
C2 C 1.08743(18) 0.14150(13) 0.93447(17) 0.0205(4) Uani 1 1 d . . .
C3 C 0.94088(19) 0.01972(13) 0.77305(15) 0.0214(5) Uani 1 1 d . . .
C4 C 0.74506(17) 0.01221(14) 0.90985(19) 0.0241(5) Uani 1 1 d . . .
C10 C 1.27628(18) 0.27431(12) 1.29051(16) 0.0328(5) Uani 1 1 d . . .
H10A H 1.2066 0.2869 1.3206 0.039 Uiso 1 1 calc R . .
H10B H 1.3303 0.3208 1.3011 0.039 Uiso 1 1 calc R . .
C11 C 1.34567(18) 0.20577(12) 1.35273(16) 0.0347(5) Uani 1 1 d . . .
H11A H 1.4142 0.1925 1.3215 0.042 Uiso 1 1 calc R . .
H11B H 1.3805 0.2220 1.4289 0.042 Uiso 1 1 calc R . .
C12 C 1.14473(19) 0.32089(12) 1.12629(18) 0.0437(6) Uani 1 1 d . . .
H12A H 1.0746 0.3190 1.1574 0.065 Uiso 1 1 calc R . .
H12B H 1.1171 0.3131 1.0478 0.065 Uiso 1 1 calc R . .
H12C H 1.1847 0.3721 1.1415 0.065 Uiso 1 1 calc R . .
C13 C 1.33092(19) 0.25965(14) 1.12201(17) 0.0409(6) Uani 1 1 d . . .
H13A H 1.3879 0.2172 1.1520 0.061 Uiso 1 1 calc R . .
H13B H 1.3733 0.3102 1.1353 0.061 Uiso 1 1 calc R . .
H13C H 1.2987 0.2519 1.0438 0.061 Uiso 1 1 calc R . .
C14 C 1.3518(2) 0.07052(14) 1.39635(18) 0.0468(7) Uani 1 1 d . . .
H14A H 1.3031 0.0237 1.4005 0.070 Uiso 1 1 calc R . .
H14B H 1.4005 0.0844 1.4691 0.070 Uiso 1 1 calc R . .
H14C H 1.4060 0.0597 1.3497 0.070 Uiso 1 1 calc R . .
C15 C 1.18526(19) 0.14777(15) 1.41724(17) 0.0487(7) Uani 1 1 d . . .
H15A H 1.1427 0.0985 1.4223 0.073 Uiso 1 1 calc R . .
H15B H 1.1260 0.1881 1.3837 0.073 Uiso 1 1 calc R . .
H15C H 1.2295 0.1649 1.4900 0.073 Uiso 1 1 calc R . .
C20 C 1.31717(18) -0.01025(14) 0.66973(17) 0.0398(6) Uani 1 1 d . . .
H20A H 1.2537 0.0225 0.6217 0.048 Uiso 1 1 calc R . .
H20B H 1.3620 -0.0377 0.6238 0.048 Uiso 1 1 calc R . .
C21 C 1.40378(18) 0.04229(13) 0.74733(17) 0.0366(5) Uani 1 1 d . . .
H21A H 1.4660 0.0095 0.7968 0.044 Uiso 1 1 calc R . .
H21B H 1.4462 0.0763 0.7060 0.044 Uiso 1 1 calc R . .
C22 C 1.1598(2) -0.10671(15) 0.64121(19) 0.0560(7) Uani 1 1 d . . .
H22A H 1.1001 -0.0671 0.6059 0.084 Uiso 1 1 calc R . .
H22B H 1.1199 -0.1460 0.6764 0.084 Uiso 1 1 calc R . .
H22C H 1.1936 -0.1324 0.5869 0.084 Uiso 1 1 calc R . .
C23 C 1.2807(2) 0.15767(15) 0.74795(19) 0.0548(7) Uani 1 1 d . . .
H23A H 1.2456 0.1918 0.7938 0.082 Uiso 1 1 calc R . .
H23B H 1.2155 0.1374 0.6881 0.082 Uiso 1 1 calc R . .
H23C H 1.3384 0.1878 0.7188 0.082 Uiso 1 1 calc R . .
C24 C 1.3438(2) -0.12937(14) 0.7758(2) 0.0498(7) Uani 1 1 d . . .
H24A H 1.4103 -0.1052 0.8309 0.075 Uiso 1 1 calc R . .
H24B H 1.3770 -0.1560 0.7218 0.075 Uiso 1 1 calc R . .
H24C H 1.3016 -0.1676 0.8104 0.075 Uiso 1 1 calc R . .
C25 C 1.43553(19) 0.12234(15) 0.90516(19) 0.0525(7) Uani 1 1 d . . .
H25A H 1.4762 0.0784 0.9495 0.079 Uiso 1 1 calc R . .
H25B H 1.3965 0.1559 0.9486 0.079 Uiso 1 1 calc R . .
H25C H 1.4956 0.1531 0.8799 0.079 Uiso 1 1 calc R . .
H1A H 0.941(2) 0.1842(16) 1.0736(18) 0.073(8) Uiso 1 1 d . . .
H1B H 0.9069(19) 0.1296(13) 1.1478(19) 0.064(8) Uiso 1 1 d . . .
H1C H 0.814(2) 0.1496(13) 1.0476(16) 0.056(7) Uiso 1 1 d . . .
H2A H 1.1697(17) 0.1348(11) 0.9545(14) 0.030(6) Uiso 1 1 d . . .
H2B H 1.0773(17) 0.1916(13) 0.9695(16) 0.047(7) Uiso 1 1 d . . .
H2C H 1.0676(17) 0.1574(12) 0.8601(17) 0.044(6) Uiso 1 1 d . . .
H3A H 0.9849(17) 0.0553(12) 0.7388(15) 0.040(6) Uiso 1 1 d . . .
H3B H 0.9593(16) -0.0287(12) 0.7416(15) 0.038(6) Uiso 1 1 d . . .
H3C H 0.8589(19) 0.0319(11) 0.7319(15) 0.043(6) Uiso 1 1 d . . .
H4A H 0.711(2) -0.0387(16) 0.9059(19) 0.072(8) Uiso 1 1 d . . .
H4B H 0.711(2) 0.0304(15) 0.843(2) 0.080(10) Uiso 1 1 d . . .
H4C H 0.699(2) 0.0357(15) 0.952(2) 0.076(9) Uiso 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
Mo1 Mo1 2.1403(3) 3_757 ?
Mo1 C2 2.3047(19) . ?
Mo1 C3 2.3176(19) . ?
Mo1 C1 2.318(2) . ?
Mo1 C4 2.3238(19) . ?
Mo1 Na1 3.1383(7) . ?
Mo1 Na2 3.1392(7) . ?
Mo1 Na2 3.1483(7) 3_757 ?
Mo1 Na1 3.1535(7) 3_757 ?
Na1 N2 2.6129(17) . ?
Na1 N1 2.6137(17) . ?
Na1 C3 2.671(2) . ?
Na1 C2 2.730(2) . ?
Na1 C1 2.748(2) 3_757 ?
Na1 C4 2.762(2) 3_757 ?
Na1 Mo1 3.1535(7) 3_757 ?
Na1 Na2 4.1757(10) 3_757 ?
Na1 Na2 4.1884(10) . ?
Na1 H2A 2.446(19) . ?
Na1 H3A 2.523(18) . ?
Na1 H3B 2.671(18) . ?
Na2 N4 2.6051(17) . ?
Na2 N3 2.6094(18) . ?
Na2 C2 2.721(2) . ?
Na2 C1 2.731(2) . ?
Na2 C4 2.756(2) 3_757 ?
Na2 C3 2.775(2) 3_757 ?
Na2 Mo1 3.1483(7) 3_757 ?
Na2 Na1 4.1757(10) 3_757 ?
Na2 H1A 2.53(2) . ?
Na2 H2A 2.639(18) . ?
Na2 H2B 2.59(2) . ?
N1 C24 1.461(3) . ?
N1 C20 1.462(3) . ?
N1 C22 1.468(2) . ?
N2 C25 1.455(2) . ?
N2 C23 1.460(3) . ?
N2 C21 1.473(2) . ?
N3 C12 1.458(2) . ?
N3 C13 1.462(2) . ?
N3 C10 1.466(2) . ?
N4 C14 1.460(3) . ?
N4 C11 1.461(2) . ?
N4 C15 1.462(2) . ?
C1 Na1 2.748(2) 3_757 ?
C1 H1A 0.98(3) . ?
C1 H1B 0.96(2) . ?
C1 H1C 0.96(2) . ?
C2 H2A 0.912(18) . ?
C2 H2B 0.98(2) . ?
C2 H2C 0.96(2) . ?
C3 Na2 2.775(2) 3_757 ?
C3 H3A 0.96(2) . ?
C3 H3B 0.96(2) . ?
C3 H3C 0.97(2) . ?
C4 Na2 2.756(2) 3_757 ?
C4 Na1 2.762(2) 3_757 ?
C4 H4A 0.94(3) . ?
C4 H4B 0.90(3) . ?
C4 H4C 0.94(3) . ?
C10 C11 1.514(3) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C20 C21 1.499(3) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?

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
Mo1 Mo1 C2 107.38(5) 3_757 . ?
Mo1 Mo1 C3 107.01(6) 3_757 . ?
C2 Mo1 C3 83.93(8) . . ?
Mo1 Mo1 C1 107.45(6) 3_757 . ?
C2 Mo1 C1 84.74(8) . . ?
C3 Mo1 C1 145.52(8) . . ?
Mo1 Mo1 C4 107.62(6) 3_757 . ?
C2 Mo1 C4 144.99(8) . . ?
C3 Mo1 C4 86.20(8) . . ?
C1 Mo1 C4 84.68(8) . . ?
Mo1 Mo1 Na1 70.498(15) 3_757 . ?
C2 Mo1 Na1 57.81(6) . . ?
C3 Mo1 Na1 56.22(5) . . ?
C1 Mo1 Na1 137.57(6) . . ?
C4 Mo1 Na1 137.35(6) . . ?
Mo1 Mo1 Na2 70.329(15) 3_757 . ?
C2 Mo1 Na2 57.55(6) . . ?
C3 Mo1 Na2 136.10(5) . . ?
C1 Mo1 Na2 57.72(6) . . ?
C4 Mo1 Na2 137.34(6) . . ?
Na1 Mo1 Na2 83.706(18) . . ?
Mo1 Mo1 Na2 69.869(15) 3_757 3_757 ?
C2 Mo1 Na2 137.57(6) . 3_757 ?
C3 Mo1 Na2 58.70(6) . 3_757 ?
C1 Mo1 Na2 137.42(6) . 3_757 ?
C4 Mo1 Na2 58.16(6) . 3_757 ?
Na1 Mo1 Na2 83.244(19) . 3_757 ?
Na2 Mo1 Na2 140.198(10) . 3_757 ?
Mo1 Mo1 Na1 69.729(15) 3_757 3_757 ?
C2 Mo1 Na1 137.13(6) . 3_757 ?
C3 Mo1 Na1 138.75(6) . 3_757 ?
C1 Mo1 Na1 57.92(6) . 3_757 ?
C4 Mo1 Na1 58.23(6) . 3_757 ?
Na1 Mo1 Na1 140.227(10) . 3_757 ?
Na2 Mo1 Na1 83.145(18) . 3_757 ?
Na2 Mo1 Na1 83.309(19) 3_757 3_757 ?
N2 Na1 N1 70.88(6) . . ?
N2 Na1 C3 123.22(6) . . ?
N1 Na1 C3 102.20(6) . . ?
N2 Na1 C2 88.94(6) . . ?
N1 Na1 C2 149.84(7) . . ?
C3 Na1 C2 69.81(7) . . ?
N2 Na1 C1 149.86(6) . 3_757 ?
N1 Na1 C1 87.38(6) . 3_757 ?
C3 Na1 C1 80.83(7) . 3_757 ?
C2 Na1 C1 118.50(6) . 3_757 ?
N2 Na1 C4 106.92(6) . 3_757 ?
N1 Na1 C4 126.51(7) . 3_757 ?
C3 Na1 C4 119.29(6) . 3_757 ?
C2 Na1 C4 80.05(7) . 3_757 ?
C1 Na1 C4 69.14(7) 3_757 3_757 ?
N2 Na1 Mo1 134.21(5) . . ?
N1 Na1 Mo1 145.22(4) . . ?
C3 Na1 Mo1 46.16(4) . . ?
C2 Na1 Mo1 45.59(4) . . ?
C1 Na1 Mo1 74.98(4) 3_757 . ?
C4 Na1 Mo1 75.00(5) 3_757 . ?
N2 Na1 Mo1 149.46(5) . 3_757 ?
N1 Na1 Mo1 132.99(5) . 3_757 ?
C3 Na1 Mo1 75.48(5) . 3_757 ?
C2 Na1 Mo1 74.65(4) . 3_757 ?
C1 Na1 Mo1 45.62(4) 3_757 3_757 ?
C4 Na1 Mo1 45.67(4) 3_757 3_757 ?
Mo1 Na1 Mo1 39.773(10) . 3_757 ?
N2 Na1 Na2 160.71(5) . 3_757 ?
N1 Na1 Na2 99.43(4) . 3_757 ?
C3 Na1 Na2 40.86(5) . 3_757 ?
C2 Na1 Na2 92.62(4) . 3_757 ?
C1 Na1 Na2 40.19(5) 3_757 3_757 ?
C4 Na1 Na2 92.28(5) 3_757 3_757 ?
Mo1 Na1 Na2 48.481(14) . 3_757 ?
Mo1 Na1 Na2 48.280(14) 3_757 3_757 ?
N2 Na1 Na2 103.29(4) . . ?
N1 Na1 Na2 164.89(5) . . ?
C3 Na1 Na2 92.65(5) . . ?
C2 Na1 Na2 39.71(5) . . ?
C1 Na1 Na2 92.34(5) 3_757 . ?
C4 Na1 Na2 40.56(5) 3_757 . ?
Mo1 Na1 Na2 48.156(14) . . ?
Mo1 Na1 Na2 48.293(14) 3_757 . ?
Na2 Na1 Na2 89.956(18) 3_757 . ?
N2 Na1 H2A 75.6(4) . . ?
N1 Na1 H2A 145.3(4) . . ?
C3 Na1 H2A 88.9(4) . . ?
C2 Na1 H2A 19.3(4) . . ?
C1 Na1 H2A 127.0(4) 3_757 . ?
C4 Na1 H2A 71.6(4) 3_757 . ?
Mo1 Na1 H2A 61.5(4) . . ?
Mo1 Na1 H2A 81.5(4) 3_757 . ?
Na2 Na1 H2A 109.8(4) 3_757 . ?
Na2 Na1 H2A 36.1(4) . . ?
N2 Na1 H3A 102.1(5) . . ?
N1 Na1 H3A 95.6(4) . . ?
C3 Na1 H3A 21.1(5) . . ?
C2 Na1 H3A 66.2(4) . . ?
C1 Na1 H3A 100.5(5) 3_757 . ?
C4 Na1 H3A 134.5(5) 3_757 . ?
Mo1 Na1 H3A 59.7(5) . . ?
Mo1 Na1 H3A 94.6(5) 3_757 . ?
Na2 Na1 H3A 61.4(5) 3_757 . ?
Na2 Na1 H3A 99.3(4) . . ?
H2A Na1 H3A 83.0(6) . . ?
N2 Na1 H3B 125.9(4) . . ?
N1 Na1 H3B 84.0(5) . . ?
C3 Na1 H3B 20.8(4) . . ?
C2 Na1 H3B 90.6(5) . . ?
C1 Na1 H3B 69.7(4) 3_757 . ?
C4 Na1 H3B 126.2(4) 3_757 . ?
Mo1 Na1 H3B 61.9(4) . . ?
Mo1 Na1 H3B 80.6(4) 3_757 . ?
Na2 Na1 H3B 34.9(4) 3_757 . ?
Na2 Na1 H3B 110.1(4) . . ?
H2A Na1 H3B 109.7(6) . . ?
H3A Na1 H3B 32.6(6) . . ?
N4 Na2 N3 71.22(6) . . ?
N4 Na2 C2 154.51(6) . . ?
N3 Na2 C2 86.96(6) . . ?
N4 Na2 C1 127.81(6) . . ?
N3 Na2 C1 105.13(6) . . ?
C2 Na2 C1 69.71(6) . . ?
N4 Na2 C4 101.31(6) . 3_757 ?
N3 Na2 C4 125.41(6) . 3_757 ?
C2 Na2 C4 80.33(7) . 3_757 ?
C1 Na2 C4 118.98(6) . 3_757 ?
N4 Na2 C3 85.55(6) . 3_757 ?
N3 Na2 C3 153.79(6) . 3_757 ?
C2 Na2 C3 118.22(6) . 3_757 ?
C1 Na2 C3 79.31(7) . 3_757 ?
C4 Na2 C3 69.98(7) 3_757 3_757 ?
N4 Na2 Mo1 159.63(5) . . ?
N3 Na2 Mo1 127.50(4) . . ?
C2 Na2 Mo1 45.63(4) . . ?
C1 Na2 Mo1 45.88(4) . . ?
C4 Na2 Mo1 75.07(5) 3_757 . ?
C3 Na2 Mo1 74.34(4) 3_757 . ?
N4 Na2 Mo1 124.47(5) . 3_757 ?
N3 Na2 Mo1 160.65(5) . 3_757 ?
C2 Na2 Mo1 74.86(5) . 3_757 ?
C1 Na2 Mo1 75.05(5) . 3_757 ?
C4 Na2 Mo1 45.76(4) 3_757 3_757 ?
C3 Na2 Mo1 45.53(4) 3_757 3_757 ?
Mo1 Na2 Mo1 39.802(10) . 3_757 ?
N4 Na2 Na1 112.54(4) . 3_757 ?
N3 Na2 Na1 141.42(4) . 3_757 ?
C2 Na2 Na1 92.70(4) . 3_757 ?
C1 Na2 Na1 40.51(5) . 3_757 ?
C4 Na2 Na1 92.35(5) 3_757 3_757 ?
C3 Na2 Na1 39.02(4) 3_757 3_757 ?
Mo1 Na2 Na1 48.575(14) . 3_757 ?
Mo1 Na2 Na1 48.275(14) 3_757 3_757 ?
N4 Na2 Na1 138.24(5) . . ?
N3 Na2 Na1 112.71(4) . . ?
C2 Na2 Na1 39.88(5) . . ?
C1 Na2 Na1 92.42(5) . . ?
C4 Na2 Na1 40.67(5) 3_757 . ?
C3 Na2 Na1 92.62(5) 3_757 . ?
Mo1 Na2 Na1 48.138(13) . . ?
Mo1 Na2 Na1 48.399(14) 3_757 . ?
Na1 Na2 Na1 90.044(19) 3_757 . ?
N4 Na2 H1A 123.5(5) . . ?
N3 Na2 H1A 84.4(6) . . ?
C2 Na2 H1A 65.0(5) . . ?
C1 Na2 H1A 20.9(6) . . ?
C4 Na2 H1A 133.4(6) 3_757 . ?
C3 Na2 H1A 99.2(6) 3_757 . ?
Mo1 Na2 H1A 58.5(6) . . ?
Mo1 Na2 H1A 93.6(6) 3_757 . ?
Na1 Na2 H1A 61.0(6) 3_757 . ?
Na1 Na2 H1A 98.0(5) . . ?
N4 Na2 H2A 138.3(4) . . ?
N3 Na2 H2A 81.9(4) . . ?
C2 Na2 H2A 19.5(4) . . ?
C1 Na2 H2A 89.2(4) . . ?
C4 Na2 H2A 69.0(4) 3_757 . ?
C3 Na2 H2A 124.3(4) 3_757 . ?
Mo1 Na2 H2A 59.8(4) . . ?
Mo1 Na2 H2A 78.8(4) 3_757 . ?
Na1 Na2 H2A 108.4(4) 3_757 . ?
Na1 Na2 H2A 33.1(4) . . ?
H1A Na2 H2A 83.4(7) . . ?
N4 Na2 H2B 140.9(5) . . ?
N3 Na2 H2B 69.7(5) . . ?
C2 Na2 H2B 21.2(5) . . ?
C1 Na2 H2B 65.0(4) . . ?
C4 Na2 H2B 100.4(5) 3_757 . ?
C3 Na2 H2B 132.6(5) 3_757 . ?
Mo1 Na2 H2B 58.6(5) . . ?
Mo1 Na2 H2B 93.7(5) 3_757 . ?
Na1 Na2 H2B 98.6(4) 3_757 . ?
Na1 Na2 H2B 60.6(5) . . ?
H1A Na2 H2B 53.1(7) . . ?
H2A Na2 H2B 32.8(6) . . ?
C24 N1 C20 111.45(16) . . ?
C24 N1 C22 108.14(19) . . ?
C20 N1 C22 109.10(17) . . ?
C24 N1 Na1 109.52(13) . . ?
C20 N1 Na1 106.14(12) . . ?
C22 N1 Na1 112.53(12) . . ?
C25 N2 C23 109.5(2) . . ?
C25 N2 C21 108.96(15) . . ?
C23 N2 C21 110.80(17) . . ?
C25 N2 Na1 112.72(13) . . ?
C23 N2 Na1 106.95(13) . . ?
C21 N2 Na1 107.88(12) . . ?
C12 N3 C13 108.81(17) . . ?
C12 N3 C10 108.70(17) . . ?
C13 N3 C10 110.37(15) . . ?
C12 N3 Na2 115.43(12) . . ?
C13 N3 Na2 106.14(12) . . ?
C10 N3 Na2 107.34(12) . . ?
C14 N4 C11 108.25(16) . . ?
C14 N4 C15 108.99(18) . . ?
C11 N4 C15 110.49(17) . . ?
C14 N4 Na2 115.26(13) . . ?
C11 N4 Na2 106.83(12) . . ?
C15 N4 Na2 106.99(12) . . ?
Mo1 C1 Na2 76.40(6) . . ?
Mo1 C1 Na1 76.46(6) . 3_757 ?
Na2 C1 Na1 99.30(7) . 3_757 ?
Mo1 C1 H1A 111.3(14) . . ?
Na2 C1 H1A 67.9(13) . . ?
Na1 C1 H1A 161.8(14) 3_757 . ?
Mo1 C1 H1B 129.0(14) . . ?
Na2 C1 H1B 76.9(13) . . ?
Na1 C1 H1B 66.0(14) 3_757 . ?
H1A C1 H1B 97.6(18) . . ?
Mo1 C1 H1C 111.4(13) . . ?
Na2 C1 H1C 170.6(14) . . ?
Na1 C1 H1C 87.9(13) 3_757 . ?
H1A C1 H1C 103.6(18) . . ?
H1B C1 H1C 100.9(18) . . ?
Mo1 C2 Na2 76.82(6) . . ?
Mo1 C2 Na1 76.59(6) . . ?
Na2 C2 Na1 100.41(7) . . ?
Mo1 C2 H2A 124.1(12) . . ?
Na2 C2 H2A 75.2(11) . . ?
Na1 C2 H2A 62.4(12) . . ?
Mo1 C2 H2B 113.5(12) . . ?
Na2 C2 H2B 72.1(12) . . ?
Na1 C2 H2B 164.6(11) . . ?
H2A C2 H2B 102.3(15) . . ?
Mo1 C2 H2C 107.9(12) . . ?
Na2 C2 H2C 172.5(13) . . ?
Na1 C2 H2C 86.5(13) . . ?
H2A C2 H2C 106.0(16) . . ?
H2B C2 H2C 100.4(17) . . ?
Mo1 C3 Na1 77.62(6) . . ?
Mo1 C3 Na2 75.78(6) . 3_757 ?
Na1 C3 Na2 100.12(7) . 3_757 ?
Mo1 C3 H3A 115.7(12) . . ?
Na1 C3 H3A 70.8(11) . . ?
Na2 C3 H3A 162.1(12) 3_757 . ?
Mo1 C3 H3B 128.6(12) . . ?
Na1 C3 H3B 79.6(11) . . ?
Na2 C3 H3B 63.8(12) 3_757 . ?
H3A C3 H3B 98.9(16) . . ?
Mo1 C3 H3C 106.5(12) . . ?
Na1 C3 H3C 170.0(12) . . ?
Na2 C3 H3C 89.8(12) 3_757 . ?
H3A C3 H3C 99.3(15) . . ?
H3B C3 H3C 103.8(15) . . ?
Mo1 C4 Na2 76.08(6) . 3_757 ?
Mo1 C4 Na1 76.10(6) . 3_757 ?
Na2 C4 Na1 98.77(8) 3_757 3_757 ?
Mo1 C4 H4A 127.7(14) . . ?
Na2 C4 H4A 57.6(14) 3_757 . ?
Na1 C4 H4A 87.6(14) 3_757 . ?
Mo1 C4 H4B 106.8(16) . . ?
Na2 C4 H4B 96.5(16) 3_757 . ?
Na1 C4 H4B 164.7(17) 3_757 . ?
H4A C4 H4B 102(2) . . ?
Mo1 C4 H4C 115.6(15) . . ?
Na2 C4 H4C 151.3(16) 3_757 . ?
Na1 C4 H4C 62.1(14) 3_757 . ?
H4A C4 H4C 98.3(19) . . ?
H4B C4 H4C 104(2) . . ?
N3 C10 C11 113.35(17) . . ?
N3 C10 H10A 108.9 . . ?
C11 C10 H10A 108.9 . . ?
N3 C10 H10B 108.9 . . ?
C11 C10 H10B 108.9 . . ?
H10A C10 H10B 107.7 . . ?
N4 C11 C10 113.67(16) . . ?
N4 C11 H11A 108.8 . . ?
C10 C11 H11A 108.8 . . ?
N4 C11 H11B 108.8 . . ?
C10 C11 H11B 108.8 . . ?
H11A C11 H11B 107.7 . . ?
N3 C12 H12A 109.5 . . ?
N3 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
N3 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N3 C13 H13A 109.5 . . ?
N3 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
N3 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N4 C14 H14A 109.5 . . ?
N4 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
N4 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N4 C15 H15A 109.5 . . ?
N4 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
N4 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N1 C20 C21 113.63(17) . . ?
N1 C20 H20A 108.8 . . ?
C21 C20 H20A 108.8 . . ?
N1 C20 H20B 108.8 . . ?
C21 C20 H20B 108.8 . . ?
H20A C20 H20B 107.7 . . ?
N2 C21 C20 113.35(16) . . ?
N2 C21 H21A 108.9 . . ?
C20 C21 H21A 108.9 . . ?
N2 C21 H21B 108.9 . . ?
C20 C21 H21B 108.9 . . ?
H21A C21 H21B 107.7 . . ?
N1 C22 H22A 109.5 . . ?
N1 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
N1 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N2 C23 H23A 109.5 . . ?
N2 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
N2 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N1 C24 H24A 109.5 . . ?
N1 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
N1 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N2 C25 H25A 109.5 . . ?
N2 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
N2 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?

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
Mo1 Mo1 Na1 N2 -135.19(7) 3_757 . . . ?
C2 Mo1 Na1 N2 -8.50(9) . . . . ?
C3 Mo1 Na1 N2 97.21(9) . . . . ?
C1 Mo1 Na1 N2 -40.37(11) . . . . ?
C4 Mo1 Na1 N2 129.68(11) . . . . ?
Na2 Mo1 Na1 N2 -63.86(6) . . . . ?
Na2 Mo1 Na1 N2 153.82(7) 3_757 . . . ?
Na1 Mo1 Na1 N2 -135.19(7) 3_757 . . . ?
Mo1 Mo1 Na1 N1 97.96(8) 3_757 . . . ?
C2 Mo1 Na1 N1 -135.35(11) . . . . ?
C3 Mo1 Na1 N1 -29.65(10) . . . . ?
C1 Mo1 Na1 N1 -167.22(11) . . . . ?
C4 Mo1 Na1 N1 2.82(13) . . . . ?
Na2 Mo1 Na1 N1 169.29(8) . . . . ?
Na2 Mo1 Na1 N1 26.97(8) 3_757 . . . ?
Na1 Mo1 Na1 N1 97.96(8) 3_757 . . . ?
Mo1 Mo1 Na1 C3 127.61(7) 3_757 . . . ?
C2 Mo1 Na1 C3 -105.71(9) . . . . ?
C1 Mo1 Na1 C3 -137.58(11) . . . . ?
C4 Mo1 Na1 C3 32.47(11) . . . . ?
Na2 Mo1 Na1 C3 -161.07(7) . . . . ?
Na2 Mo1 Na1 C3 56.62(7) 3_757 . . . ?
Na1 Mo1 Na1 C3 127.61(7) 3_757 . . . ?
Mo1 Mo1 Na1 C2 -126.68(6) 3_757 . . . ?
C3 Mo1 Na1 C2 105.71(9) . . . . ?
C1 Mo1 Na1 C2 -31.87(10) . . . . ?
C4 Mo1 Na1 C2 138.18(11) . . . . ?
Na2 Mo1 Na1 C2 -55.36(6) . . . . ?
Na2 Mo1 Na1 C2 162.32(6) 3_757 . . . ?
Na1 Mo1 Na1 C2 -126.68(6) 3_757 . . . ?
Mo1 Mo1 Na1 C1 35.95(5) 3_757 . . 3_757 ?
C2 Mo1 Na1 C1 162.64(8) . . . 3_757 ?
C3 Mo1 Na1 C1 -91.65(8) . . . 3_757 ?
C1 Mo1 Na1 C1 130.77(6) . . . 3_757 ?
C4 Mo1 Na1 C1 -59.18(10) . . . 3_757 ?
Na2 Mo1 Na1 C1 107.28(5) . . . 3_757 ?
Na2 Mo1 Na1 C1 -35.04(5) 3_757 . . 3_757 ?
Na1 Mo1 Na1 C1 35.95(5) 3_757 . . 3_757 ?
Mo1 Mo1 Na1 C4 -36.00(5) 3_757 . . 3_757 ?
C2 Mo1 Na1 C4 90.69(8) . . . 3_757 ?
C3 Mo1 Na1 C4 -163.61(9) . . . 3_757 ?
C1 Mo1 Na1 C4 58.82(10) . . . 3_757 ?
C4 Mo1 Na1 C4 -131.14(6) . . . 3_757 ?
Na2 Mo1 Na1 C4 35.33(6) . . . 3_757 ?
Na2 Mo1 Na1 C4 -106.99(6) 3_757 . . 3_757 ?
Na1 Mo1 Na1 C4 -36.00(5) 3_757 . . 3_757 ?
C2 Mo1 Na1 Mo1 126.68(6) . . . 3_757 ?
C3 Mo1 Na1 Mo1 -127.61(7) . . . 3_757 ?
C1 Mo1 Na1 Mo1 94.82(8) . . . 3_757 ?
C4 Mo1 Na1 Mo1 -95.14(9) . . . 3_757 ?
Na2 Mo1 Na1 Mo1 71.325(16) . . . 3_757 ?
Na2 Mo1 Na1 Mo1 -70.991(16) 3_757 . . 3_757 ?
Na1 Mo1 Na1 Mo1 0.0 3_757 . . 3_757 ?
Mo1 Mo1 Na1 Na2 70.991(16) 3_757 . . 3_757 ?
C2 Mo1 Na1 Na2 -162.32(6) . . . 3_757 ?
C3 Mo1 Na1 Na2 -56.62(7) . . . 3_757 ?
C1 Mo1 Na1 Na2 165.81(8) . . . 3_757 ?
C4 Mo1 Na1 Na2 -24.15(9) . . . 3_757 ?
Na2 Mo1 Na1 Na2 142.316(10) . . . 3_757 ?
Na1 Mo1 Na1 Na2 70.991(16) 3_757 . . 3_757 ?
Mo1 Mo1 Na1 Na2 -71.325(16) 3_757 . . . ?
C2 Mo1 Na1 Na2 55.36(6) . . . . ?
C3 Mo1 Na1 Na2 161.07(7) . . . . ?
C1 Mo1 Na1 Na2 23.49(8) . . . . ?
C4 Mo1 Na1 Na2 -166.46(9) . . . . ?
Na2 Mo1 Na1 Na2 -142.316(10) 3_757 . . . ?
Na1 Mo1 Na1 Na2 -71.325(16) 3_757 . . . ?
Mo1 Mo1 Na2 N4 -46.16(14) 3_757 . . . ?
C2 Mo1 Na2 N4 -173.27(16) . . . . ?
C3 Mo1 Na2 N4 -140.55(15) . . . . ?
C1 Mo1 Na2 N4 80.88(15) . . . . ?
C4 Mo1 Na2 N4 48.80(17) . . . . ?
Na1 Mo1 Na2 N4 -117.66(14) . . . . ?
Na2 Mo1 Na2 N4 -46.16(14) 3_757 . . . ?
Na1 Mo1 Na2 N4 24.72(14) 3_757 . . . ?
Mo1 Mo1 Na2 N3 159.55(6) 3_757 . . . ?
C2 Mo1 Na2 N3 32.45(8) . . . . ?
C3 Mo1 Na2 N3 65.17(10) . . . . ?
C1 Mo1 Na2 N3 -73.40(8) . . . . ?
C4 Mo1 Na2 N3 -105.49(10) . . . . ?
Na1 Mo1 Na2 N3 88.05(5) . . . . ?
Na2 Mo1 Na2 N3 159.55(6) 3_757 . . . ?
Na1 Mo1 Na2 N3 -129.57(6) 3_757 . . . ?
Mo1 Mo1 Na2 C2 127.11(7) 3_757 . . . ?
C3 Mo1 Na2 C2 32.72(11) . . . . ?
C1 Mo1 Na2 C2 -105.85(9) . . . . ?
C4 Mo1 Na2 C2 -137.93(11) . . . . ?
Na1 Mo1 Na2 C2 55.60(7) . . . . ?
Na2 Mo1 Na2 C2 127.11(7) 3_757 . . . ?
Na1 Mo1 Na2 C2 -162.02(7) 3_757 . . . ?
Mo1 Mo1 Na2 C1 -127.04(7) 3_757 . . . ?
C2 Mo1 Na2 C1 105.85(9) . . . . ?
C3 Mo1 Na2 C1 138.57(10) . . . . ?
C4 Mo1 Na2 C1 -32.08(11) . . . . ?
Na1 Mo1 Na2 C1 161.45(7) . . . . ?
Na2 Mo1 Na2 C1 -127.04(7) 3_757 . . . ?
Na1 Mo1 Na2 C1 -56.17(7) 3_757 . . . ?
Mo1 Mo1 Na2 C4 36.10(5) 3_757 . . 3_757 ?
C2 Mo1 Na2 C4 -91.01(8) . . . 3_757 ?
C3 Mo1 Na2 C4 -58.29(10) . . . 3_757 ?
C1 Mo1 Na2 C4 163.14(8) . . . 3_757 ?
C4 Mo1 Na2 C4 131.06(6) . . . 3_757 ?
Na1 Mo1 Na2 C4 -35.41(5) . . . 3_757 ?
Na2 Mo1 Na2 C4 36.10(5) 3_757 . . 3_757 ?
Na1 Mo1 Na2 C4 106.97(5) 3_757 . . 3_757 ?
Mo1 Mo1 Na2 C3 -36.85(5) 3_757 . . 3_757 ?
C2 Mo1 Na2 C3 -163.95(8) . . . 3_757 ?
C3 Mo1 Na2 C3 -131.23(6) . . . 3_757 ?
C1 Mo1 Na2 C3 90.20(8) . . . 3_757 ?
C4 Mo1 Na2 C3 58.11(10) . . . 3_757 ?
Na1 Mo1 Na2 C3 -108.35(5) . . . 3_757 ?
Na2 Mo1 Na2 C3 -36.85(5) 3_757 . . 3_757 ?
Na1 Mo1 Na2 C3 34.03(5) 3_757 . . 3_757 ?
C2 Mo1 Na2 Mo1 -127.11(7) . . . 3_757 ?
C3 Mo1 Na2 Mo1 -94.39(8) . . . 3_757 ?
C1 Mo1 Na2 Mo1 127.04(7) . . . 3_757 ?
C4 Mo1 Na2 Mo1 94.96(9) . . . 3_757 ?
Na1 Mo1 Na2 Mo1 -71.503(16) . . . 3_757 ?
Na2 Mo1 Na2 Mo1 0.0 3_757 . . 3_757 ?
Na1 Mo1 Na2 Mo1 70.877(16) 3_757 . . 3_757 ?
Mo1 Mo1 Na2 Na1 -70.877(16) 3_757 . . 3_757 ?
C2 Mo1 Na2 Na1 162.02(7) . . . 3_757 ?
C3 Mo1 Na2 Na1 -165.26(8) . . . 3_757 ?
C1 Mo1 Na2 Na1 56.17(7) . . . 3_757 ?
C4 Mo1 Na2 Na1 24.08(9) . . . 3_757 ?
Na1 Mo1 Na2 Na1 -142.379(10) . . . 3_757 ?
Na2 Mo1 Na2 Na1 -70.877(16) 3_757 . . 3_757 ?
Mo1 Mo1 Na2 Na1 71.503(16) 3_757 . . . ?
C2 Mo1 Na2 Na1 -55.60(7) . . . . ?
C3 Mo1 Na2 Na1 -22.88(8) . . . . ?
C1 Mo1 Na2 Na1 -161.45(7) . . . . ?
C4 Mo1 Na2 Na1 166.46(9) . . . . ?
Na2 Mo1 Na2 Na1 71.503(16) 3_757 . . . ?
Na1 Mo1 Na2 Na1 142.379(10) 3_757 . . . ?
N2 Na1 Na2 N4 -68.96(8) . . . . ?
N1 Na1 Na2 N4 -3.6(2) . . . . ?
C3 Na1 Na2 N4 165.98(8) . . . . ?
C2 Na1 Na2 N4 -140.64(10) . . . . ?
C1 Na1 Na2 N4 85.06(8) 3_757 . . . ?
C4 Na1 Na2 N4 31.63(9) 3_757 . . . ?
Mo1 Na1 Na2 N4 152.43(7) . . . . ?
Mo1 Na1 Na2 N4 98.16(7) 3_757 . . . ?
Na2 Na1 Na2 N4 125.19(7) 3_757 . . . ?
N2 Na1 Na2 N3 17.88(6) . . . . ?
N1 Na1 Na2 N3 83.28(18) . . . . ?
C3 Na1 Na2 N3 -107.18(6) . . . . ?
C2 Na1 Na2 N3 -53.80(8) . . . . ?
C1 Na1 Na2 N3 171.90(6) 3_757 . . . ?
C4 Na1 Na2 N3 118.47(8) 3_757 . . . ?
Mo1 Na1 Na2 N3 -120.73(5) . . . . ?
Mo1 Na1 Na2 N3 -175.00(5) 3_757 . . . ?
Na2 Na1 Na2 N3 -147.97(5) 3_757 . . . ?
N2 Na1 Na2 C2 71.68(8) . . . . ?
N1 Na1 Na2 C2 137.09(19) . . . . ?
C3 Na1 Na2 C2 -53.38(8) . . . . ?
C1 Na1 Na2 C2 -134.29(8) 3_757 . . . ?
C4 Na1 Na2 C2 172.27(10) 3_757 . . . ?
Mo1 Na1 Na2 C2 -66.92(6) . . . . ?
Mo1 Na1 Na2 C2 -121.20(7) 3_757 . . . ?
Na2 Na1 Na2 C2 -94.16(7) 3_757 . . . ?
N2 Na1 Na2 C1 125.40(6) . . . . ?
N1 Na1 Na2 C1 -169.20(18) . . . . ?
C3 Na1 Na2 C1 0.34(7) . . . . ?
C2 Na1 Na2 C1 53.71(8) . . . . ?
C1 Na1 Na2 C1 -80.58(7) 3_757 . . . ?
C4 Na1 Na2 C1 -134.01(9) 3_757 . . . ?
Mo1 Na1 Na2 C1 -13.21(5) . . . . ?
Mo1 Na1 Na2 C1 -67.49(5) 3_757 . . . ?
Na2 Na1 Na2 C1 -40.45(5) 3_757 . . . ?
N2 Na1 Na2 C4 -100.59(8) . . . 3_757 ?
N1 Na1 Na2 C4 -35.19(19) . . . 3_757 ?
C3 Na1 Na2 C4 134.35(9) . . . 3_757 ?
C2 Na1 Na2 C4 -172.27(10) . . . 3_757 ?
C1 Na1 Na2 C4 53.43(8) 3_757 . . 3_757 ?
Mo1 Na1 Na2 C4 120.80(7) . . . 3_757 ?
Mo1 Na1 Na2 C4 66.53(7) 3_757 . . 3_757 ?
Na2 Na1 Na2 C4 93.56(7) 3_757 . . 3_757 ?
N2 Na1 Na2 C3 -155.20(6) . . . 3_757 ?
N1 Na1 Na2 C3 -89.80(18) . . . 3_757 ?
C3 Na1 Na2 C3 79.74(7) . . . 3_757 ?
C2 Na1 Na2 C3 133.11(8) . . . 3_757 ?
C1 Na1 Na2 C3 -1.18(6) 3_757 . . 3_757 ?
C4 Na1 Na2 C3 -54.61(8) 3_757 . . 3_757 ?
Mo1 Na1 Na2 C3 66.19(5) . . . 3_757 ?
Mo1 Na1 Na2 C3 11.92(4) 3_757 . . 3_757 ?
Na2 Na1 Na2 C3 38.95(4) 3_757 . . 3_757 ?
N2 Na1 Na2 Mo1 138.61(5) . . . . ?
N1 Na1 Na2 Mo1 -155.99(18) . . . . ?
C3 Na1 Na2 Mo1 13.55(5) . . . . ?
C2 Na1 Na2 Mo1 66.92(6) . . . . ?
C1 Na1 Na2 Mo1 -67.37(5) 3_757 . . . ?
C4 Na1 Na2 Mo1 -120.80(7) 3_757 . . . ?
Mo1 Na1 Na2 Mo1 -54.274(13) 3_757 . . . ?
Na2 Na1 Na2 Mo1 -27.239(7) 3_757 . . . ?
N2 Na1 Na2 Mo1 -167.12(5) . . . 3_757 ?
N1 Na1 Na2 Mo1 -101.72(18) . . . 3_757 ?
C3 Na1 Na2 Mo1 67.82(5) . . . 3_757 ?
C2 Na1 Na2 Mo1 121.20(7) . . . 3_757 ?
C1 Na1 Na2 Mo1 -13.10(5) 3_757 . . 3_757 ?
C4 Na1 Na2 Mo1 -66.53(7) 3_757 . . 3_757 ?
Mo1 Na1 Na2 Mo1 54.274(13) . . . 3_757 ?
Na2 Na1 Na2 Mo1 27.035(7) 3_757 . . 3_757 ?
N2 Na1 Na2 Na1 165.85(5) . . . 3_757 ?
N1 Na1 Na2 Na1 -128.75(18) . . . 3_757 ?
C3 Na1 Na2 Na1 40.79(5) . . . 3_757 ?
C2 Na1 Na2 Na1 94.16(7) . . . 3_757 ?
C1 Na1 Na2 Na1 -40.13(5) 3_757 . . 3_757 ?
C4 Na1 Na2 Na1 -93.56(7) 3_757 . . 3_757 ?
Mo1 Na1 Na2 Na1 27.239(7) . . . 3_757 ?
Mo1 Na1 Na2 Na1 -27.035(7) 3_757 . . 3_757 ?
Na2 Na1 Na2 Na1 0.0 3_757 . . 3_757 ?
N2 Na1 N1 C24 102.06(14) . . . . ?
C3 Na1 N1 C24 -136.72(14) . . . . ?
C2 Na1 N1 C24 152.59(14) . . . . ?
C1 Na1 N1 C24 -56.69(14) 3_757 . . . ?
C4 Na1 N1 C24 4.79(16) 3_757 . . . ?
Mo1 Na1 N1 C24 -115.31(14) . . . . ?
Mo1 Na1 N1 C24 -55.30(15) 3_757 . . . ?
Na2 Na1 N1 C24 -95.18(13) 3_757 . . . ?
Na2 Na1 N1 C24 32.6(3) . . . . ?
N2 Na1 N1 C20 -18.37(12) . . . . ?
C3 Na1 N1 C20 102.85(13) . . . . ?
C2 Na1 N1 C20 32.16(19) . . . . ?
C1 Na1 N1 C20 -177.12(13) 3_757 . . . ?
C4 Na1 N1 C20 -115.64(13) 3_757 . . . ?
Mo1 Na1 N1 C20 124.26(12) . . . . ?
Mo1 Na1 N1 C20 -175.73(10) 3_757 . . . ?
Na2 Na1 N1 C20 144.39(12) 3_757 . . . ?
Na2 Na1 N1 C20 -87.8(2) . . . . ?
N2 Na1 N1 C22 -137.63(16) . . . . ?
C3 Na1 N1 C22 -16.41(16) . . . . ?
C2 Na1 N1 C22 -87.10(19) . . . . ?
C1 Na1 N1 C22 63.62(16) 3_757 . . . ?
C4 Na1 N1 C22 125.10(15) 3_757 . . . ?
Mo1 Na1 N1 C22 5.0(2) . . . . ?
Mo1 Na1 N1 C22 65.01(17) 3_757 . . . ?
Na2 Na1 N1 C22 25.13(15) 3_757 . . . ?
Na2 Na1 N1 C22 152.89(16) . . . . ?
N1 Na1 N2 C25 -131.22(15) . . . . ?
C3 Na1 N2 C25 136.47(14) . . . . ?
C2 Na1 N2 C25 71.60(14) . . . . ?
C1 Na1 N2 C25 -85.10(19) 3_757 . . . ?
C4 Na1 N2 C25 -7.66(15) 3_757 . . . ?
Mo1 Na1 N2 C25 77.67(15) . . . . ?
Mo1 Na1 N2 C25 15.14(19) 3_757 . . . ?
Na2 Na1 N2 C25 166.52(13) 3_757 . . . ?
Na2 Na1 N2 C25 34.26(14) . . . . ?
N1 Na1 N2 C23 108.37(15) . . . . ?
C3 Na1 N2 C23 16.06(17) . . . . ?
C2 Na1 N2 C23 -48.81(15) . . . . ?
C1 Na1 N2 C23 154.48(15) 3_757 . . . ?
C4 Na1 N2 C23 -128.07(15) 3_757 . . . ?
Mo1 Na1 N2 C23 -42.75(16) . . . . ?
Mo1 Na1 N2 C23 -105.27(15) 3_757 . . . ?
Na2 Na1 N2 C23 46.1(2) 3_757 . . . ?
Na2 Na1 N2 C23 -86.15(14) . . . . ?
N1 Na1 N2 C21 -10.87(12) . . . . ?
C3 Na1 N2 C21 -103.19(14) . . . . ?
C2 Na1 N2 C21 -168.05(13) . . . . ?
C1 Na1 N2 C21 35.2(2) 3_757 . . . ?
C4 Na1 N2 C21 112.68(13) 3_757 . . . ?
Mo1 Na1 N2 C21 -161.99(11) . . . . ?
Mo1 Na1 N2 C21 135.49(12) 3_757 . . . ?
Na2 Na1 N2 C21 -73.1(2) 3_757 . . . ?
Na2 Na1 N2 C21 154.60(12) . . . . ?
N4 Na2 N3 C12 -134.85(15) . . . . ?
C2 Na2 N3 C12 58.56(15) . . . . ?
C1 Na2 N3 C12 -9.48(16) . . . . ?
C4 Na2 N3 C12 134.43(14) 3_757 . . . ?
C3 Na2 N3 C12 -106.04(19) 3_757 . . . ?
Mo1 Na2 N3 C12 35.98(16) . . . . ?
Mo1 Na2 N3 C12 78.4(2) 3_757 . . . ?
Na1 Na2 N3 C12 -31.97(18) 3_757 . . . ?
Na1 Na2 N3 C12 89.77(14) . . . . ?
N4 Na2 N3 C13 104.54(13) . . . . ?
C2 Na2 N3 C13 -62.05(13) . . . . ?
C1 Na2 N3 C13 -130.09(12) . . . . ?
C4 Na2 N3 C13 13.82(15) 3_757 . . . ?
C3 Na2 N3 C13 133.35(16) 3_757 . . . ?
Mo1 Na2 N3 C13 -84.64(12) . . . . ?
Mo1 Na2 N3 C13 -42.2(2) 3_757 . . . ?
Na1 Na2 N3 C13 -152.58(10) 3_757 . . . ?
Na1 Na2 N3 C13 -30.84(13) . . . . ?
N4 Na2 N3 C10 -13.49(12) . . . . ?
C2 Na2 N3 C10 179.92(13) . . . . ?
C1 Na2 N3 C10 111.88(12) . . . . ?
C4 Na2 N3 C10 -104.21(13) 3_757 . . . ?
C3 Na2 N3 C10 15.3(2) 3_757 . . . ?
Mo1 Na2 N3 C10 157.33(10) . . . . ?
Mo1 Na2 N3 C10 -160.22(12) 3_757 . . . ?
Na1 Na2 N3 C10 89.39(13) 3_757 . . . ?
Na1 Na2 N3 C10 -148.88(11) . . . . ?
N3 Na2 N4 C14 -136.20(15) . . . . ?
C2 Na2 N4 C14 -103.6(2) . . . . ?
C1 Na2 N4 C14 128.91(14) . . . . ?
C4 Na2 N4 C14 -12.41(15) 3_757 . . . ?
C3 Na2 N4 C14 56.13(15) 3_757 . . . ?
Mo1 Na2 N4 C14 65.1(2) . . . . ?
Mo1 Na2 N4 C14 31.06(16) 3_757 . . . ?
Na1 Na2 N4 C14 84.97(14) 3_757 . . . ?
Na1 Na2 N4 C14 -32.81(17) . . . . ?
N3 Na2 N4 C11 -15.90(12) . . . . ?
C2 Na2 N4 C11 16.6(2) . . . . ?
C1 Na2 N4 C11 -110.79(13) . . . . ?
C4 Na2 N4 C11 107.88(13) 3_757 . . . ?
C3 Na2 N4 C11 176.43(13) 3_757 . . . ?
Mo1 Na2 N4 C11 -174.58(12) . . . . ?
Mo1 Na2 N4 C11 151.36(11) 3_757 . . . ?
Na1 Na2 N4 C11 -154.74(11) 3_757 . . . ?
Na1 Na2 N4 C11 87.48(14) . . . . ?
N3 Na2 N4 C15 102.45(15) . . . . ?
C2 Na2 N4 C15 135.00(17) . . . . ?
C1 Na2 N4 C15 7.56(18) . . . . ?
C4 Na2 N4 C15 -133.76(15) 3_757 . . . ?
C3 Na2 N4 C15 -65.22(15) 3_757 . . . ?
Mo1 Na2 N4 C15 -56.2(2) . . . . ?
Mo1 Na2 N4 C15 -90.29(15) 3_757 . . . ?
Na1 Na2 N4 C15 -36.39(15) 3_757 . . . ?
Na1 Na2 N4 C15 -154.16(12) . . . . ?
Mo1 Mo1 C1 Na2 51.98(5) 3_757 . . . ?
C2 Mo1 C1 Na2 -54.61(6) . . . . ?
C3 Mo1 C1 Na2 -125.84(12) . . . . ?
C4 Mo1 C1 Na2 158.81(7) . . . . ?
Na1 Mo1 C1 Na2 -27.95(10) . . . . ?
Na2 Mo1 C1 Na2 130.96(5) 3_757 . . . ?
Na1 Mo1 C1 Na2 103.26(6) 3_757 . . . ?
Mo1 Mo1 C1 Na1 -51.27(5) 3_757 . . 3_757 ?
C2 Mo1 C1 Na1 -157.87(7) . . . 3_757 ?
C3 Mo1 C1 Na1 130.90(11) . . . 3_757 ?
C4 Mo1 C1 Na1 55.55(7) . . . 3_757 ?
Na1 Mo1 C1 Na1 -131.20(5) . . . 3_757 ?
Na2 Mo1 C1 Na1 -103.26(6) . . . 3_757 ?
Na2 Mo1 C1 Na1 27.71(9) 3_757 . . 3_757 ?
N4 Na2 C1 Mo1 -154.22(6) . . . . ?
N3 Na2 C1 Mo1 128.03(6) . . . . ?
C2 Na2 C1 Mo1 47.15(6) . . . . ?
C4 Na2 C1 Mo1 -18.68(9) 3_757 . . . ?
C3 Na2 C1 Mo1 -78.49(6) 3_757 . . . ?
Mo1 Na2 C1 Mo1 -31.93(4) 3_757 . . . ?
Na1 Na2 C1 Mo1 -73.51(6) 3_757 . . . ?
Na1 Na2 C1 Mo1 13.72(5) . . . . ?
N4 Na2 C1 Na1 -80.70(9) . . . 3_757 ?
N3 Na2 C1 Na1 -158.45(6) . . . 3_757 ?
C2 Na2 C1 Na1 120.66(8) . . . 3_757 ?
C4 Na2 C1 Na1 54.83(9) 3_757 . . 3_757 ?
C3 Na2 C1 Na1 -4.98(6) 3_757 . . 3_757 ?
Mo1 Na2 C1 Na1 73.51(6) . . . 3_757 ?
Mo1 Na2 C1 Na1 41.59(5) 3_757 . . 3_757 ?
Na1 Na2 C1 Na1 87.23(5) . . . 3_757 ?
Mo1 Mo1 C2 Na2 -51.90(5) 3_757 . . . ?
C3 Mo1 C2 Na2 -157.86(7) . . . . ?
C1 Mo1 C2 Na2 54.76(7) . . . . ?
C4 Mo1 C2 Na2 127.68(12) . . . . ?
Na1 Mo1 C2 Na2 -104.28(6) . . . . ?
Na2 Mo1 C2 Na2 -130.83(5) 3_757 . . . ?
Na1 Mo1 C2 Na2 26.78(9) 3_757 . . . ?
Mo1 Mo1 C2 Na1 52.38(5) 3_757 . . . ?
C3 Mo1 C2 Na1 -53.57(6) . . . . ?
C1 Mo1 C2 Na1 159.04(7) . . . . ?
C4 Mo1 C2 Na1 -128.04(12) . . . . ?
Na2 Mo1 C2 Na1 104.28(6) . . . . ?
Na2 Mo1 C2 Na1 -26.55(9) 3_757 . . . ?
Na1 Mo1 C2 Na1 131.06(5) 3_757 . . . ?
N4 Na2 C2 Mo1 174.56(13) . . . . ?
N3 Na2 C2 Mo1 -154.77(6) . . . . ?
C1 Na2 C2 Mo1 -47.41(6) . . . . ?
C4 Na2 C2 Mo1 78.53(6) 3_757 . . . ?
C3 Na2 C2 Mo1 17.58(9) 3_757 . . . ?
Mo1 Na2 C2 Mo1 31.93(4) 3_757 . . . ?
Na1 Na2 C2 Mo1 -13.40(5) 3_757 . . . ?
Na1 Na2 C2 Mo1 73.43(6) . . . . ?
N4 Na2 C2 Na1 101.13(15) . . . . ?
N3 Na2 C2 Na1 131.80(6) . . . . ?
C1 Na2 C2 Na1 -120.84(8) . . . . ?
C4 Na2 C2 Na1 5.10(6) 3_757 . . . ?
C3 Na2 C2 Na1 -55.85(9) 3_757 . . . ?
Mo1 Na2 C2 Na1 -73.43(6) . . . . ?
Mo1 Na2 C2 Na1 -41.50(4) 3_757 . . . ?
Na1 Na2 C2 Na1 -86.83(5) 3_757 . . . ?
N2 Na1 C2 Mo1 173.92(6) . . . . ?
N1 Na1 C2 Mo1 127.07(10) . . . . ?
C3 Na1 C2 Mo1 47.72(6) . . . . ?
C1 Na1 C2 Mo1 -19.14(9) 3_757 . . . ?
C4 Na1 C2 Mo1 -78.70(6) 3_757 . . . ?
Mo1 Na1 C2 Mo1 -32.14(4) 3_757 . . . ?
Na2 Na1 C2 Mo1 13.15(5) 3_757 . . . ?
Na2 Na1 C2 Mo1 -73.61(6) . . . . ?
N2 Na1 C2 Na2 -112.47(7) . . . . ?
N1 Na1 C2 Na2 -159.32(9) . . . . ?
C3 Na1 C2 Na2 121.33(7) . . . . ?
C1 Na1 C2 Na2 54.47(9) 3_757 . . . ?
C4 Na1 C2 Na2 -5.09(6) 3_757 . . . ?
Mo1 Na1 C2 Na2 73.61(6) . . . . ?
Mo1 Na1 C2 Na2 41.47(4) 3_757 . . . ?
Na2 Na1 C2 Na2 86.77(5) 3_757 . . . ?
Mo1 Mo1 C3 Na1 -51.34(5) 3_757 . . . ?
C2 Mo1 C3 Na1 55.02(6) . . . . ?
C1 Mo1 C3 Na1 126.49(12) . . . . ?
C4 Mo1 C3 Na1 -158.62(7) . . . . ?
Na2 Mo1 C3 Na1 27.71(10) . . . . ?
Na2 Mo1 C3 Na1 -103.96(6) 3_757 . . . ?
Na1 Mo1 C3 Na1 -129.77(5) 3_757 . . . ?
Mo1 Mo1 C3 Na2 52.61(5) 3_757 . . 3_757 ?
C2 Mo1 C3 Na2 158.97(7) . . . 3_757 ?
C1 Mo1 C3 Na2 -129.56(12) . . . 3_757 ?
C4 Mo1 C3 Na2 -54.66(7) . . . 3_757 ?
Na1 Mo1 C3 Na2 103.96(6) . . . 3_757 ?
Na2 Mo1 C3 Na2 131.67(5) . . . 3_757 ?
Na1 Mo1 C3 Na2 -25.81(9) 3_757 . . 3_757 ?
N2 Na1 C3 Mo1 -121.79(7) . . . . ?
N1 Na1 C3 Mo1 163.22(6) . . . . ?
C2 Na1 C3 Mo1 -47.12(6) . . . . ?
C1 Na1 C3 Mo1 77.94(6) 3_757 . . . ?
C4 Na1 C3 Mo1 18.21(10) 3_757 . . . ?
Mo1 Na1 C3 Mo1 31.57(4) 3_757 . . . ?
Na2 Na1 C3 Mo1 72.86(6) 3_757 . . . ?
Na2 Na1 C3 Mo1 -14.00(5) . . . . ?
N2 Na1 C3 Na2 165.35(6) . . . 3_757 ?
N1 Na1 C3 Na2 90.36(7) . . . 3_757 ?
C2 Na1 C3 Na2 -119.98(8) . . . 3_757 ?
C1 Na1 C3 Na2 5.08(6) 3_757 . . 3_757 ?
C4 Na1 C3 Na2 -54.65(10) 3_757 . . 3_757 ?
Mo1 Na1 C3 Na2 -72.86(6) . . . 3_757 ?
Mo1 Na1 C3 Na2 -41.29(5) 3_757 . . 3_757 ?
Na2 Na1 C3 Na2 -86.86(5) . . . 3_757 ?
Mo1 Mo1 C4 Na2 -51.52(5) 3_757 . . 3_757 ?
C2 Mo1 C4 Na2 128.90(12) . . . 3_757 ?
C3 Mo1 C4 Na2 55.13(7) . . . 3_757 ?
C1 Mo1 C4 Na2 -158.16(7) . . . 3_757 ?
Na1 Mo1 C4 Na2 28.57(10) . . . 3_757 ?
Na2 Mo1 C4 Na2 -131.35(5) . . . 3_757 ?
Na1 Mo1 C4 Na2 -102.89(6) 3_757 . . 3_757 ?
Mo1 Mo1 C4 Na1 51.37(5) 3_757 . . 3_757 ?
C2 Mo1 C4 Na1 -128.21(12) . . . 3_757 ?
C3 Mo1 C4 Na1 158.02(7) . . . 3_757 ?
C1 Mo1 C4 Na1 -55.27(7) . . . 3_757 ?
Na1 Mo1 C4 Na1 131.46(5) . . . 3_757 ?
Na2 Mo1 C4 Na1 -28.46(10) . . . 3_757 ?
Na2 Mo1 C4 Na1 102.89(6) 3_757 . . 3_757 ?
C12 N3 C10 C11 168.07(17) . . . . ?
C13 N3 C10 C11 -72.7(2) . . . . ?
Na2 N3 C10 C11 42.58(19) . . . . ?
C14 N4 C11 C10 169.91(18) . . . . ?
C15 N4 C11 C10 -70.8(2) . . . . ?
Na2 N4 C11 C10 45.22(19) . . . . ?
N3 C10 C11 N4 -64.1(2) . . . . ?
C24 N1 C20 C21 -71.1(2) . . . . ?
C22 N1 C20 C21 169.53(18) . . . . ?
Na1 N1 C20 C21 48.04(19) . . . . ?
C25 N2 C21 C20 162.99(19) . . . . ?
C23 N2 C21 C20 -76.5(2) . . . . ?
Na1 N2 C21 C20 40.3(2) . . . . ?
N1 C20 C21 N2 -64.4(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.874
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.974
_refine_diff_density_max         0.422
_refine_diff_density_min         -0.272
_refine_diff_density_rms         0.066
_chemical_properties_physical    
', Air-sensitive,Moisture-sensitive,Oxygen-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_srrc1105
_database_code_depnum_ccdc_archive 'CCDC 1519881'
_audit_update_record             
;
2016-11-29 deposited with the CCDC.
2017-01-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C37 H87 Cr2 N6 Na3'
_chemical_formula_sum            'C37 H87 Cr2 N6 Na3'
_chemical_formula_weight         789.10

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'
Na Na 0.0362 0.0249 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21'

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

_cell_length_a                   12.0585(3)
_cell_length_b                   15.7116(5)
_cell_length_c                   12.5776(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 103.980(3)
_cell_angle_gamma                90.00
_cell_volume                     2312.35(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    9402
_cell_measurement_theta_min      3.1170
_cell_measurement_theta_max      28.6021

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.133
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             864
_exptl_absorpt_coefficient_mu    0.528
_exptl_absorpt_correction_T_min  0.96422
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            14038
_diffrn_reflns_av_R_equivalents  0.0201
_diffrn_reflns_av_sigmaI/netI    0.0345
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         3.12
_diffrn_reflns_theta_max         28.67
_reflns_number_total             8711
_reflns_number_gt                8281
_reflns_threshold_expression     I>2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
;
_computing_cell_refinement       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
;
_computing_data_reduction        
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0322P)²+0.2947P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_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   -0.013(10)
_refine_ls_number_reflns         8711
_refine_ls_number_parameters     529
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0308
_refine_ls_R_factor_gt           0.0282
_refine_ls_wR_factor_ref         0.0667
_refine_ls_wR_factor_gt          0.0650
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_restrained_S_all      1.020
_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
Cr1 Cr 0.15462(2) 0.310481(19) 0.84675(2) 0.01816(7) Uani 1 1 d . . .
Cr2 Cr 0.19147(2) 0.334880(19) 0.71022(2) 0.01931(7) Uani 1 1 d . . .
Na1 Na -0.07340(6) 0.24944(6) 0.65956(7) 0.02529(18) Uani 1 1 d . . .
Na2 Na 0.39632(6) 0.37550(6) 0.90279(7) 0.02609(19) Uani 1 1 d . . .
Na3 Na 0.05026(6) 0.48223(5) 0.76283(7) 0.02285(17) Uani 1 1 d . . .
C1 C -0.02799(16) 0.32876(16) 0.84130(17) 0.0248(4) Uani 1 1 d . . .
C2 C 0.04159(17) 0.36662(15) 0.58133(18) 0.0234(4) Uani 1 1 d . . .
C3 C 0.18914(18) 0.41965(15) 0.95406(19) 0.0249(4) Uani 1 1 d . . .
C4 C 0.25642(18) 0.46425(16) 0.7049(2) 0.0291(5) Uani 1 1 d . . .
C5 C 0.29146(18) 0.23968(16) 0.95234(19) 0.0281(5) Uani 1 1 d . . .
C6 C 0.35697(17) 0.28876(18) 0.7040(2) 0.0314(5) Uani 1 1 d . . .
C7 C 0.13853(18) 0.19694(15) 0.7283(2) 0.0273(5) Uani 1 1 d . . .
N5 N 0.02162(13) 0.62856(11) 0.85063(13) 0.0202(3) Uani 1 1 d . . .
N6 N -0.09494(13) 0.58149(11) 0.63249(14) 0.0217(4) Uani 1 1 d . . .
C10 C -0.18771(19) 0.54071(17) 0.5516(2) 0.0401(6) Uani 1 1 d . . .
H10A H -0.1591 0.4888 0.5243 0.060 Uiso 1 1 calc R . .
H10B H -0.2161 0.5799 0.4905 0.060 Uiso 1 1 calc R . .
H10C H -0.2500 0.5262 0.5860 0.060 Uiso 1 1 calc R . .
C11 C -0.0050(2) 0.60580(16) 0.57774(19) 0.0336(5) Uani 1 1 d . . .
H11A H 0.0171 0.5561 0.5406 0.050 Uiso 1 1 calc R . .
H11B H 0.0616 0.6270 0.6323 0.050 Uiso 1 1 calc R . .
H11C H -0.0337 0.6506 0.5238 0.050 Uiso 1 1 calc R . .
C12 C -0.13829(15) 0.65437(13) 0.68559(16) 0.0186(4) Uani 1 1 d . . .
H12A H -0.1963 0.6310 0.7226 0.022 Uiso 1 1 calc R . .
C13 C -0.19854(17) 0.72370(14) 0.60631(17) 0.0265(5) Uani 1 1 d . . .
H13A H -0.1442 0.7468 0.5660 0.032 Uiso 1 1 calc R . .
H13B H -0.2630 0.6978 0.5521 0.032 Uiso 1 1 calc R . .
C14 C -0.24362(18) 0.79636(14) 0.66392(19) 0.0324(5) Uani 1 1 d . . .
H14A H -0.2779 0.8405 0.6098 0.039 Uiso 1 1 calc R . .
H14B H -0.3039 0.7748 0.6982 0.039 Uiso 1 1 calc R . .
C15 C -0.14744(18) 0.83496(15) 0.75096(18) 0.0320(5) Uani 1 1 d . . .
H15A H -0.1780 0.8810 0.7895 0.038 Uiso 1 1 calc R . .
H15B H -0.0898 0.8601 0.7160 0.038 Uiso 1 1 calc R . .
C16 C -0.09114(19) 0.76700(13) 0.83339(18) 0.0283(5) Uani 1 1 d . . .
H16A H -0.1481 0.7438 0.8707 0.034 Uiso 1 1 calc R . .
H16B H -0.0285 0.7930 0.8896 0.034 Uiso 1 1 calc R . .
C17 C -0.04293(16) 0.69411(13) 0.77569(16) 0.0198(4) Uani 1 1 d . . .
H17A H 0.0124 0.7207 0.7378 0.024 Uiso 1 1 calc R . .
C18 C -0.04162(18) 0.59783(15) 0.92937(18) 0.0280(5) Uani 1 1 d . . .
H18A H 0.0002 0.5506 0.9718 0.042 Uiso 1 1 calc R . .
H18B H -0.1175 0.5783 0.8897 0.042 Uiso 1 1 calc R . .
H18C H -0.0497 0.6442 0.9791 0.042 Uiso 1 1 calc R . .
C19 C 0.13326(18) 0.66147(15) 0.91063(19) 0.0305(5) Uani 1 1 d . . .
H19A H 0.1764 0.6160 0.9558 0.046 Uiso 1 1 calc R . .
H19B H 0.1220 0.7087 0.9578 0.046 Uiso 1 1 calc R . .
H19C H 0.1759 0.6816 0.8584 0.046 Uiso 1 1 calc R . .
N3 N 0.60800(13) 0.40228(12) 0.91360(14) 0.0231(4) Uani 1 1 d . . .
N4 N 0.50730(13) 0.43340(12) 1.09865(14) 0.0227(4) Uani 1 1 d . . .
C20 C 0.62214(19) 0.44808(18) 0.81655(18) 0.0350(5) Uani 1 1 d . . .
H20A H 0.5721 0.4230 0.7509 0.053 Uiso 1 1 calc R . .
H20B H 0.7018 0.4439 0.8117 0.053 Uiso 1 1 calc R . .
H20C H 0.6019 0.5081 0.8220 0.053 Uiso 1 1 calc R . .
C21 C 0.63671(16) 0.31236(16) 0.90494(18) 0.0308(5) Uani 1 1 d . . .
H21A H 0.5827 0.2867 0.8422 0.046 Uiso 1 1 calc R . .
H21B H 0.6322 0.2825 0.9722 0.046 Uiso 1 1 calc R . .
H21C H 0.7145 0.3077 0.8946 0.046 Uiso 1 1 calc R . .
C22 C 0.67530(15) 0.44382(13) 1.01456(16) 0.0204(4) Uani 1 1 d . . .
H22A H 0.6651 0.5066 1.0036 0.024 Uiso 1 1 calc R . .
C23 C 0.80454(15) 0.42570(14) 1.03698(17) 0.0226(4) Uani 1 1 d . . .
H23A H 0.8178 0.3639 1.0495 0.027 Uiso 1 1 calc R . .
H23B H 0.8320 0.4416 0.9716 0.027 Uiso 1 1 calc R . .
C24 C 0.87310(16) 0.47432(15) 1.13575(17) 0.0260(4) Uani 1 1 d . . .
H24A H 0.9552 0.4600 1.1478 0.031 Uiso 1 1 calc R . .
H24B H 0.8642 0.5363 1.1221 0.031 Uiso 1 1 calc R . .
C25 C 0.83147(16) 0.45110(16) 1.23685(17) 0.0284(5) Uani 1 1 d . . .
H25A H 0.8738 0.4847 1.3003 0.034 Uiso 1 1 calc R . .
H25B H 0.8461 0.3900 1.2540 0.034 Uiso 1 1 calc R . .
C26 C 0.70371(16) 0.46921(15) 1.21676(16) 0.0249(4) Uani 1 1 d . . .
H26A H 0.6905 0.5311 1.2053 0.030 Uiso 1 1 calc R . .
H26B H 0.6774 0.4527 1.2826 0.030 Uiso 1 1 calc R . .
C27 C 0.63261(14) 0.42082(13) 1.11669(16) 0.0203(4) Uani 1 1 d . . .
H27A H 0.6479 0.3588 1.1308 0.024 Uiso 1 1 calc R . .
C28 C 0.47386(18) 0.52319(16) 1.0946(2) 0.0353(5) Uani 1 1 d . . .
H28A H 0.3903 0.5275 1.0750 0.053 Uiso 1 1 calc R . .
H28B H 0.5048 0.5528 1.0395 0.053 Uiso 1 1 calc R . .
H28C H 0.5041 0.5493 1.1665 0.053 Uiso 1 1 calc R . .
C29 C 0.46421(17) 0.38901(17) 1.18413(18) 0.0328(5) Uani 1 1 d . . .
H29A H 0.3807 0.3935 1.1674 0.049 Uiso 1 1 calc R . .
H29B H 0.4971 0.4152 1.2555 0.049 Uiso 1 1 calc R . .
H29C H 0.4862 0.3289 1.1862 0.049 Uiso 1 1 calc R . .
N1 N -0.26225(14) 0.25550(12) 0.52109(14) 0.0256(4) Uani 1 1 d . . .
N2 N -0.19775(13) 0.12255(11) 0.67996(13) 0.0215(3) Uani 1 1 d . . .
C30 C -0.24857(19) 0.28827(18) 0.4163(2) 0.0410(6) Uani 1 1 d . . .
H30A H -0.1965 0.3371 0.4292 0.061 Uiso 1 1 calc R . .
H30B H -0.3231 0.3061 0.3713 0.061 Uiso 1 1 calc R . .
H30C H -0.2169 0.2436 0.3780 0.061 Uiso 1 1 calc R . .
C31 C -0.31243(19) 0.32067(16) 0.5780(2) 0.0423(6) Uani 1 1 d . . .
H31A H -0.2618 0.3703 0.5921 0.063 Uiso 1 1 calc R . .
H31B H -0.3221 0.2978 0.6476 0.063 Uiso 1 1 calc R . .
H31C H -0.3870 0.3376 0.5323 0.063 Uiso 1 1 calc R . .
C32 C -0.32691(15) 0.17455(14) 0.50652(16) 0.0215(4) Uani 1 1 d . . .
H32A H -0.2906 0.1367 0.4607 0.026 Uiso 1 1 calc R . .
C33 C -0.45392(17) 0.18391(15) 0.44585(19) 0.0304(5) Uani 1 1 d . . .
H33A H -0.4934 0.2201 0.4896 0.037 Uiso 1 1 calc R . .
H33B H -0.4595 0.2123 0.3745 0.037 Uiso 1 1 calc R . .
C34 C -0.51241(19) 0.09741(17) 0.4270(2) 0.0359(6) Uani 1 1 d . . .
H34A H -0.5935 0.1049 0.3878 0.043 Uiso 1 1 calc R . .
H34B H -0.4750 0.0618 0.3808 0.043 Uiso 1 1 calc R . .
C35 C -0.50549(18) 0.05313(17) 0.5357(2) 0.0385(6) Uani 1 1 d . . .
H35A H -0.5429 -0.0033 0.5229 0.046 Uiso 1 1 calc R . .
H35B H -0.5457 0.0874 0.5808 0.046 Uiso 1 1 calc R . .
C36 C -0.38012(17) 0.04233(15) 0.5959(2) 0.0306(5) Uani 1 1 d . . .
H36A H -0.3415 0.0055 0.5521 0.037 Uiso 1 1 calc R . .
H36B H -0.3755 0.0139 0.6671 0.037 Uiso 1 1 calc R . .
C37 C -0.31821(15) 0.12865(13) 0.61589(16) 0.0202(4) Uani 1 1 d . . .
H37A H -0.3599 0.1643 0.6595 0.024 Uiso 1 1 calc R . .
C38 C -0.19122(19) 0.10535(16) 0.79625(17) 0.0316(5) Uani 1 1 d . . .
H38A H -0.1112 0.1071 0.8377 0.047 Uiso 1 1 calc R . .
H38B H -0.2232 0.0489 0.8037 0.047 Uiso 1 1 calc R . .
H38C H -0.2349 0.1486 0.8249 0.047 Uiso 1 1 calc R . .
C39 C -0.13339(17) 0.05725(15) 0.63732(19) 0.0285(5) Uani 1 1 d . . .
H39A H -0.0523 0.0613 0.6749 0.043 Uiso 1 1 calc R . .
H39B H -0.1424 0.0659 0.5585 0.043 Uiso 1 1 calc R . .
H39C H -0.1624 0.0008 0.6500 0.043 Uiso 1 1 calc R . .
H1A H -0.070(2) 0.2773(18) 0.841(2) 0.038(7) Uiso 1 1 d . . .
H1B H -0.084(2) 0.3647(16) 0.791(2) 0.032(6) Uiso 1 1 d . . .
H1C H -0.031(2) 0.3561(19) 0.914(2) 0.051(8) Uiso 1 1 d . . .
H2A H -0.026(2) 0.3939(17) 0.593(2) 0.039(7) Uiso 1 1 d . . .
H2B H 0.0121(19) 0.3191(18) 0.5338(19) 0.031(6) Uiso 1 1 d . . .
H2C H 0.061(2) 0.4051(18) 0.533(2) 0.038(7) Uiso 1 1 d . . .
H3A H 0.124(2) 0.4557(18) 0.958(2) 0.042(7) Uiso 1 1 d . . .
H3B H 0.210(3) 0.400(3) 1.020(3) 0.090(13) Uiso 1 1 d . . .
H3C H 0.248(3) 0.462(2) 0.949(3) 0.071(10) Uiso 1 1 d . . .
H4A H 0.327(2) 0.483(2) 0.764(2) 0.054(8) Uiso 1 1 d . . .
H4B H 0.271(2) 0.4639(18) 0.630(2) 0.048(8) Uiso 1 1 d . . .
H4C H 0.209(2) 0.515(2) 0.696(2) 0.057(9) Uiso 1 1 d . . .
H5A H 0.336(2) 0.2622(19) 1.025(2) 0.047(8) Uiso 1 1 d . . .
H5B H 0.244(2) 0.191(2) 0.971(2) 0.055(9) Uiso 1 1 d . . .
H5C H 0.345(3) 0.209(2) 0.918(3) 0.073(10) Uiso 1 1 d . . .
H6A H 0.418(2) 0.3317(19) 0.707(2) 0.041(7) Uiso 1 1 d . . .
H6B H 0.387(2) 0.2395(19) 0.744(2) 0.043(8) Uiso 1 1 d . . .
H6C H 0.337(2) 0.2692(19) 0.631(2) 0.049(8) Uiso 1 1 d . . .
H7A H 0.203(3) 0.165(2) 0.741(2) 0.056(9) Uiso 1 1 d . . .
H7B H 0.096(2) 0.1692(19) 0.766(2) 0.046(8) Uiso 1 1 d . . .
H7C H 0.096(2) 0.184(2) 0.656(3) 0.051(8) Uiso 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
Cr1 Cr2 1.9136(4) . ?
Cr1 C5 2.160(2) . ?
Cr1 C3 2.160(2) . ?
Cr1 C1 2.2052(18) . ?
Cr1 C7 2.302(2) . ?
Cr1 Na2 3.0070(8) . ?
Cr1 Na3 3.0557(8) . ?
Cr1 Na1 3.3008(8) . ?
Cr2 C6 2.142(2) . ?
Cr2 C2 2.174(2) . ?
Cr2 C4 2.185(2) . ?
Cr2 C7 2.286(2) . ?
Cr2 Na3 3.0400(8) . ?
Cr2 Na2 3.0797(8) . ?
Cr2 Na1 3.3803(8) . ?
Na1 N1 2.5123(18) . ?
Na1 C1 2.544(2) . ?
Na1 N2 2.5445(19) . ?
Na1 C7 2.625(2) . ?
Na1 C2 2.634(2) . ?
Na1 Na3 4.0439(12) . ?
Na1 H1A 2.32(3) . ?
Na1 H1B 2.48(2) . ?
Na1 H2A 2.53(3) . ?
Na1 H2B 2.36(2) . ?
Na1 H7B 2.50(3) . ?
Na1 H7C 2.29(3) . ?
Na2 N3 2.5581(17) . ?
Na2 C5 2.631(3) . ?
Na2 N4 2.6635(19) . ?
Na2 C6 2.786(3) . ?
Na2 C3 2.814(2) . ?
Na2 C4 2.993(2) . ?
Na2 H3C 2.42(3) . ?
Na2 H4A 2.43(3) . ?
Na2 H5A 2.57(3) . ?
Na2 H6A 2.63(2) . ?
Na3 N6 2.6074(18) . ?
Na3 N5 2.6094(19) . ?
Na3 C3 2.759(2) . ?
Na3 C4 2.769(2) . ?
Na3 C1 2.851(3) . ?
Na3 C2 2.899(2) . ?
Na3 H1B 2.54(2) . ?
Na3 H2A 2.52(3) . ?
Na3 H3A 2.44(3) . ?
Na3 H4C 2.33(3) . ?
C1 H1A 0.96(3) . ?
C1 H1B 0.98(3) . ?
C1 H1C 1.02(3) . ?
C2 H2A 0.97(3) . ?
C2 H2B 0.97(3) . ?
C2 H2C 0.92(3) . ?
C3 H3A 0.98(3) . ?
C3 H3B 0.86(4) . ?
C3 H3C 0.99(4) . ?
C4 H4A 1.03(3) . ?
C4 H4B 1.00(3) . ?
C4 H4C 0.97(3) . ?
C5 H5A 1.00(3) . ?
C5 H5B 1.02(3) . ?
C5 H5C 0.98(3) . ?
C6 H6A 0.99(3) . ?
C6 H6B 0.94(3) . ?
C6 H6C 0.95(3) . ?
C7 H7A 0.90(3) . ?
C7 H7B 0.89(3) . ?
C7 H7C 0.95(3) . ?
N5 C19 1.469(3) . ?
N5 C18 1.470(3) . ?
N5 C17 1.483(2) . ?
N6 C10 1.465(3) . ?
N6 C11 1.469(3) . ?
N6 C12 1.483(3) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.536(3) . ?
C12 C17 1.538(3) . ?
C12 H12A 1.0000 . ?
C13 C14 1.521(3) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.516(3) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.528(3) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.543(3) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 H17A 1.0000 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
N3 C20 1.462(3) . ?
N3 C21 1.465(3) . ?
N3 C22 1.483(2) . ?
N4 C28 1.465(3) . ?
N4 C29 1.477(3) . ?
N4 C27 1.486(2) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C27 1.538(3) . ?
C22 C23 1.542(2) . ?
C22 H22A 1.0000 . ?
C23 C24 1.521(3) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.520(3) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.526(3) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.541(3) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 H27A 1.0000 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
N1 C30 1.461(3) . ?
N1 C31 1.461(3) . ?
N1 C32 1.480(3) . ?
N2 C39 1.464(3) . ?
N2 C38 1.471(3) . ?
N2 C37 1.484(2) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C37 1.534(3) . ?
C32 C33 1.544(3) . ?
C32 H32A 1.0000 . ?
C33 C34 1.523(3) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.519(3) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.528(3) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.539(3) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 H37A 1.0000 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?

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
Cr2 Cr1 C5 110.27(7) . . ?
Cr2 Cr1 C3 110.50(7) . . ?
C5 Cr1 C3 91.23(9) . . ?
Cr2 Cr1 C1 113.12(6) . . ?
C5 Cr1 C1 134.02(9) . . ?
C3 Cr1 C1 87.49(8) . . ?
Cr2 Cr1 C7 64.93(7) . . ?
C5 Cr1 C7 86.05(9) . . ?
C3 Cr1 C7 173.27(9) . . ?
C1 Cr1 C7 98.82(8) . . ?
Cr2 Cr1 Na2 73.75(2) . . ?
C5 Cr1 Na2 58.50(7) . . ?
C3 Cr1 Na2 63.53(6) . . ?
C1 Cr1 Na2 150.12(7) . . ?
C7 Cr1 Na2 109.90(6) . . ?
Cr2 Cr1 Na3 71.256(19) . . ?
C5 Cr1 Na3 148.97(7) . . ?
C3 Cr1 Na3 61.03(6) . . ?
C1 Cr1 Na3 63.22(7) . . ?
C7 Cr1 Na3 119.84(6) . . ?
Na2 Cr1 Na3 94.35(2) . . ?
Cr2 Cr1 Na1 75.649(19) . . ?
C5 Cr1 Na1 132.06(7) . . ?
C3 Cr1 Na1 132.69(6) . . ?
C1 Cr1 Na1 50.37(6) . . ?
C7 Cr1 Na1 52.25(6) . . ?
Na2 Cr1 Na1 149.21(2) . . ?
Na3 Cr1 Na1 78.91(2) . . ?
Cr1 Cr2 C6 112.67(7) . . ?
Cr1 Cr2 C2 112.56(6) . . ?
C6 Cr2 C2 131.62(9) . . ?
Cr1 Cr2 C4 112.11(7) . . ?
C6 Cr2 C4 88.26(10) . . ?
C2 Cr2 C4 90.20(9) . . ?
Cr1 Cr2 C7 65.77(6) . . ?
C6 Cr2 C7 88.17(9) . . ?
C2 Cr2 C7 95.16(8) . . ?
C4 Cr2 C7 174.64(8) . . ?
Cr1 Cr2 Na3 72.152(19) . . ?
C6 Cr2 Na3 147.28(7) . . ?
C2 Cr2 Na3 65.12(6) . . ?
C4 Cr2 Na3 61.44(6) . . ?
C7 Cr2 Na3 121.04(6) . . ?
Cr1 Cr2 Na2 69.62(2) . . ?
C6 Cr2 Na2 61.42(7) . . ?
C2 Cr2 Na2 154.58(7) . . ?
C4 Cr2 Na2 66.79(6) . . ?
C7 Cr2 Na2 107.95(6) . . ?
Na3 Cr2 Na2 93.21(2) . . ?
Cr1 Cr2 Na1 71.090(18) . . ?
C6 Cr2 Na1 134.82(7) . . ?
C2 Cr2 Na1 51.18(6) . . ?
C4 Cr2 Na1 133.87(6) . . ?
C7 Cr2 Na1 50.84(6) . . ?
Na3 Cr2 Na1 77.88(2) . . ?
Na2 Cr2 Na1 140.57(2) . . ?
N1 Na1 C1 124.51(7) . . ?
N1 Na1 N2 69.03(6) . . ?
C1 Na1 N2 107.30(7) . . ?
N1 Na1 C7 152.57(8) . . ?
C1 Na1 C7 82.92(7) . . ?
N2 Na1 C7 105.73(7) . . ?
N1 Na1 C2 100.68(7) . . ?
C1 Na1 C2 88.55(8) . . ?
N2 Na1 C2 164.03(7) . . ?
C7 Na1 C2 77.55(7) . . ?
N1 Na1 Cr1 160.53(5) . . ?
C1 Na1 Cr1 41.88(4) . . ?
N2 Na1 Cr1 124.43(5) . . ?
C7 Na1 Cr1 43.89(5) . . ?
C2 Na1 Cr1 68.92(5) . . ?
N1 Na1 Cr2 140.59(5) . . ?
C1 Na1 Cr2 69.37(5) . . ?
N2 Na1 Cr2 147.69(5) . . ?
C7 Na1 Cr2 42.47(5) . . ?
C2 Na1 Cr2 40.02(5) . . ?
Cr1 Na1 Cr2 33.261(11) . . ?
N1 Na1 Na3 112.99(5) . . ?
C1 Na1 Na3 44.42(6) . . ?
N2 Na1 Na3 148.96(5) . . ?
C7 Na1 Na3 85.66(6) . . ?
C2 Na1 Na3 45.68(5) . . ?
Cr1 Na1 Na3 47.863(16) . . ?
Cr2 Na1 Na3 47.307(16) . . ?
N1 Na1 H1A 118.2(6) . . ?
C1 Na1 H1A 22.0(7) . . ?
N2 Na1 H1A 85.3(7) . . ?
C7 Na1 H1A 87.2(6) . . ?
C2 Na1 H1A 110.6(7) . . ?
Cr1 Na1 H1A 55.2(6) . . ?
Cr2 Na1 H1A 87.1(6) . . ?
Na3 Na1 H1A 66.2(7) . . ?
N1 Na1 H1B 104.6(6) . . ?
C1 Na1 H1B 22.5(6) . . ?
N2 Na1 H1B 112.3(5) . . ?
C7 Na1 H1B 102.3(6) . . ?
C2 Na1 H1B 81.6(6) . . ?
Cr1 Na1 H1B 58.6(6) . . ?
Cr2 Na1 H1B 77.4(5) . . ?
Na3 Na1 H1B 36.7(5) . . ?
H1A Na1 H1B 36.4(9) . . ?
N1 Na1 H2A 88.6(6) . . ?
C1 Na1 H2A 80.7(6) . . ?
N2 Na1 H2A 157.1(6) . . ?
C7 Na1 H2A 96.5(6) . . ?
C2 Na1 H2A 21.5(6) . . ?
Cr1 Na1 H2A 76.1(6) . . ?
Cr2 Na1 H2A 55.2(6) . . ?
Na3 Na1 H2A 36.8(6) . . ?
H1A Na1 H2A 101.7(9) . . ?
H1B Na1 H2A 67.3(8) . . ?
N1 Na1 H2B 89.3(5) . . ?
C1 Na1 H2B 110.0(7) . . ?
N2 Na1 H2B 142.7(7) . . ?
C7 Na1 H2B 79.5(6) . . ?
C2 Na1 H2B 21.5(6) . . ?
Cr1 Na1 H2B 85.4(6) . . ?
Cr2 Na1 H2B 52.8(6) . . ?
Na3 Na1 H2B 67.0(7) . . ?
H1A Na1 H2B 132.0(10) . . ?
H1B Na1 H2B 102.1(9) . . ?
H2A Na1 H2B 36.2(8) . . ?
N1 Na1 H7B 151.4(7) . . ?
C1 Na1 H7B 78.2(7) . . ?
N2 Na1 H7B 88.7(7) . . ?
C7 Na1 H7B 19.8(7) . . ?
C2 Na1 H7B 96.6(7) . . ?
Cr1 Na1 H7B 48.0(7) . . ?
Cr2 Na1 H7B 59.0(7) . . ?
Na3 Na1 H7B 95.3(7) . . ?
H1A Na1 H7B 75.6(9) . . ?
H1B Na1 H7B 100.3(9) . . ?
H2A Na1 H7B 114.1(9) . . ?
H2B Na1 H7B 99.2(9) . . ?
N1 Na1 H7C 131.8(8) . . ?
C1 Na1 H7C 103.6(8) . . ?
N2 Na1 H7C 101.6(8) . . ?
C7 Na1 H7C 20.9(8) . . ?
C2 Na1 H7C 75.7(8) . . ?
Cr1 Na1 H7C 63.3(8) . . ?
Cr2 Na1 H7C 51.4(8) . . ?
Na3 Na1 H7C 98.5(8) . . ?
H1A Na1 H7C 107.4(10) . . ?
H1B Na1 H7C 121.9(10) . . ?
H2A Na1 H7C 97.0(10) . . ?
H2B Na1 H7C 70.0(9) . . ?
H7B Na1 H7C 33.6(9) . . ?
N3 Na2 C5 130.64(7) . . ?
N3 Na2 N4 67.83(5) . . ?
C5 Na2 N4 102.76(7) . . ?
N3 Na2 C6 94.56(6) . . ?
C5 Na2 C6 80.12(8) . . ?
N4 Na2 C6 159.35(6) . . ?
N3 Na2 C3 151.30(7) . . ?
C5 Na2 C3 68.99(7) . . ?
N4 Na2 C3 88.82(6) . . ?
C6 Na2 C3 110.99(7) . . ?
N3 Na2 C4 108.80(6) . . ?
C5 Na2 C4 111.61(7) . . ?
N4 Na2 C4 131.78(7) . . ?
C6 Na2 C4 62.74(8) . . ?
C3 Na2 C4 73.88(7) . . ?
N3 Na2 Cr1 165.14(5) . . ?
C5 Na2 Cr1 44.43(5) . . ?
N4 Na2 Cr1 125.09(5) . . ?
C6 Na2 Cr1 71.23(5) . . ?
C3 Na2 Cr1 43.41(5) . . ?
C4 Na2 Cr1 69.12(4) . . ?
N3 Na2 Cr2 132.56(5) . . ?
C5 Na2 Cr2 71.23(5) . . ?
N4 Na2 Cr2 157.89(5) . . ?
C6 Na2 Cr2 42.47(4) . . ?
C3 Na2 Cr2 69.11(5) . . ?
C4 Na2 Cr2 42.15(5) . . ?
Cr1 Na2 Cr2 36.624(12) . . ?
N3 Na2 H3C 132.7(9) . . ?
C5 Na2 H3C 88.5(9) . . ?
N4 Na2 H3C 79.7(8) . . ?
C6 Na2 H3C 120.9(8) . . ?
C3 Na2 H3C 20.0(9) . . ?
C4 Na2 H3C 68.8(8) . . ?
Cr1 Na2 H3C 61.2(9) . . ?
Cr2 Na2 H3C 78.9(8) . . ?
N3 Na2 H4A 95.0(7) . . ?
C5 Na2 H4A 129.4(7) . . ?
N4 Na2 H4A 115.7(7) . . ?
C6 Na2 H4A 75.1(7) . . ?
C3 Na2 H4A 79.8(6) . . ?
C4 Na2 H4A 18.5(7) . . ?
Cr1 Na2 H4A 85.7(7) . . ?
Cr2 Na2 H4A 60.7(7) . . ?
H3C Na2 H4A 68.7(10) . . ?
N3 Na2 H5A 120.4(6) . . ?
C5 Na2 H5A 22.2(6) . . ?
N4 Na2 H5A 80.6(6) . . ?
C6 Na2 H5A 100.7(7) . . ?
C3 Na2 H5A 68.7(6) . . ?
C4 Na2 H5A 129.4(6) . . ?
Cr1 Na2 H5A 60.3(6) . . ?
Cr2 Na2 H5A 92.1(6) . . ?
H3C Na2 H5A 84.9(11) . . ?
H4A Na2 H5A 144.5(9) . . ?
N3 Na2 H6A 76.7(6) . . ?
C5 Na2 H6A 99.9(7) . . ?
N4 Na2 H6A 144.5(6) . . ?
C6 Na2 H6A 20.8(6) . . ?
C3 Na2 H6A 124.9(5) . . ?
C4 Na2 H6A 60.4(6) . . ?
Cr1 Na2 H6A 90.0(6) . . ?
Cr2 Na2 H6A 56.7(5) . . ?
H3C Na2 H6A 128.1(9) . . ?
H4A Na2 H6A 66.7(9) . . ?
H5A Na2 H6A 119.0(9) . . ?
N6 Na3 N5 66.52(5) . . ?
N6 Na3 C3 159.29(7) . . ?
N5 Na3 C3 93.42(6) . . ?
N6 Na3 C4 113.88(7) . . ?
N5 Na3 C4 114.85(7) . . ?
C3 Na3 C4 78.37(7) . . ?
N6 Na3 C1 119.69(6) . . ?
N5 Na3 C1 120.66(6) . . ?
C3 Na3 C1 65.08(7) . . ?
C4 Na3 C1 113.46(7) . . ?
N6 Na3 C2 89.35(6) . . ?
N5 Na3 C2 154.41(7) . . ?
C3 Na3 C2 111.22(7) . . ?
C4 Na3 C2 65.97(7) . . ?
C1 Na3 C2 77.92(7) . . ?
N6 Na3 Cr2 130.17(5) . . ?
N5 Na3 Cr2 154.36(5) . . ?
C3 Na3 Cr2 70.39(5) . . ?
C4 Na3 Cr2 43.89(5) . . ?
C1 Na3 Cr2 71.39(4) . . ?
C2 Na3 Cr2 42.86(4) . . ?
N6 Na3 Cr1 154.60(5) . . ?
N5 Na3 Cr1 135.85(5) . . ?
C3 Na3 Cr1 43.24(5) . . ?
C4 Na3 Cr1 71.32(5) . . ?
C1 Na3 Cr1 43.67(4) . . ?
C2 Na3 Cr1 69.65(5) . . ?
Cr2 Na3 Cr1 36.592(12) . . ?
N6 Na3 Na1 101.51(5) . . ?
N5 Na3 Na1 148.94(4) . . ?
C3 Na3 Na1 93.25(5) . . ?
C4 Na3 Na1 96.20(6) . . ?
C1 Na3 Na1 38.65(5) . . ?
C2 Na3 Na1 40.54(5) . . ?
Cr2 Na3 Na1 54.812(18) . . ?
Cr1 Na3 Na1 53.226(18) . . ?
N6 Na3 H1B 99.7(6) . . ?
N5 Na3 H1B 115.4(5) . . ?
C3 Na3 H1B 83.8(6) . . ?
C4 Na3 H1B 127.3(6) . . ?
C1 Na3 H1B 20.0(6) . . ?
C2 Na3 H1B 75.6(5) . . ?
Cr2 Na3 H1B 83.4(6) . . ?
Cr1 Na3 H1B 62.1(6) . . ?
Na1 Na3 H1B 35.7(5) . . ?
N6 Na3 H2A 75.2(6) . . ?
N5 Na3 H2A 141.5(6) . . ?
C3 Na3 H2A 124.1(6) . . ?
C4 Na3 H2A 83.7(6) . . ?
C1 Na3 H2A 75.1(6) . . ?
C2 Na3 H2A 19.0(6) . . ?
Cr2 Na3 H2A 60.5(6) . . ?
Cr1 Na3 H2A 80.9(6) . . ?
Na1 Na3 H2A 36.9(6) . . ?
H1B Na3 H2A 66.5(8) . . ?
N6 Na3 H3A 139.6(7) . . ?
N5 Na3 H3A 77.2(7) . . ?
C3 Na3 H3A 20.6(6) . . ?
C4 Na3 H3A 96.7(6) . . ?
C1 Na3 H3A 65.0(6) . . ?
C2 Na3 H3A 128.4(7) . . ?
Cr2 Na3 H3A 90.1(7) . . ?
Cr1 Na3 H3A 58.8(7) . . ?
Na1 Na3 H3A 100.7(7) . . ?
H1B Na3 H3A 79.9(8) . . ?
H2A Na3 H3A 136.6(9) . . ?
N6 Na3 H4C 97.2(8) . . ?
N5 Na3 H4C 99.4(8) . . ?
C3 Na3 H4C 90.9(7) . . ?
C4 Na3 H4C 19.6(8) . . ?
C1 Na3 H4C 133.0(8) . . ?
C2 Na3 H4C 74.2(8) . . ?
Cr2 Na3 H4C 62.4(8) . . ?
Cr1 Na3 H4C 90.8(8) . . ?
Na1 Na3 H4C 110.7(8) . . ?
H1B Na3 H4C 145.0(10) . . ?
H2A Na3 H4C 88.9(9) . . ?
H3A Na3 H4C 105.8(9) . . ?
Cr1 C1 Na1 87.75(7) . . ?
Cr1 C1 Na3 73.11(6) . . ?
Na1 C1 Na3 96.93(7) . . ?
Cr1 C1 H1A 114.7(15) . . ?
Na1 C1 H1A 65.5(16) . . ?
Na3 C1 H1A 159.5(15) . . ?
Cr1 C1 H1B 128.2(14) . . ?
Na1 C1 H1B 74.8(14) . . ?
Na3 C1 H1B 61.6(14) . . ?
H1A C1 H1B 101.8(19) . . ?
Cr1 C1 H1C 106.0(15) . . ?
Na1 C1 H1C 165.3(15) . . ?
Na3 C1 H1C 92.3(16) . . ?
H1A C1 H1C 103(2) . . ?
H1B C1 H1C 100(2) . . ?
Cr2 C2 Na1 88.79(8) . . ?
Cr2 C2 Na3 72.02(6) . . ?
Na1 C2 Na3 93.78(7) . . ?
Cr2 C2 H2A 124.5(15) . . ?
Na1 C2 H2A 73.0(16) . . ?
Na3 C2 H2A 58.0(15) . . ?
Cr2 C2 H2B 113.5(14) . . ?
Na1 C2 H2B 62.9(14) . . ?
Na3 C2 H2B 155.1(13) . . ?
H2A C2 H2B 104(2) . . ?
Cr2 C2 H2C 110.2(15) . . ?
Na1 C2 H2C 159.9(16) . . ?
Na3 C2 H2C 98.0(17) . . ?
H2A C2 H2C 100(2) . . ?
H2B C2 H2C 102(2) . . ?
Cr1 C3 Na3 75.73(7) . . ?
Cr1 C3 Na2 73.07(6) . . ?
Na3 C3 Na2 105.88(8) . . ?
Cr1 C3 H3A 117.1(16) . . ?
Na3 C3 H3A 61.0(15) . . ?
Na2 C3 H3A 157.3(16) . . ?
Cr1 C3 H3B 107(3) . . ?
Na3 C3 H3B 160(2) . . ?
Na2 C3 H3B 93(2) . . ?
H3A C3 H3B 102(3) . . ?
Cr1 C3 H3C 121.7(19) . . ?
Na3 C3 H3C 90.1(19) . . ?
Na2 C3 H3C 56.9(19) . . ?
H3A C3 H3C 103(3) . . ?
H3B C3 H3C 104(3) . . ?
Cr2 C4 Na3 74.67(6) . . ?
Cr2 C4 Na2 71.06(7) . . ?
Na3 C4 Na2 100.97(8) . . ?
Cr2 C4 H4A 119.3(17) . . ?
Na3 C4 H4A 114.7(16) . . ?
Na2 C4 H4A 48.3(17) . . ?
Cr2 C4 H4B 99.7(16) . . ?
Na3 C4 H4B 128.4(15) . . ?
Na2 C4 H4B 126.2(16) . . ?
H4A C4 H4B 112(2) . . ?
Cr2 C4 H4C 124.1(17) . . ?
Na3 C4 H4C 53.6(17) . . ?
Na2 C4 H4C 132.8(17) . . ?
H4A C4 H4C 102(2) . . ?
H4B C4 H4C 97(2) . . ?
Cr1 C5 Na2 77.06(8) . . ?
Cr1 C5 H5A 122.5(16) . . ?
Na2 C5 H5A 75.5(16) . . ?
Cr1 C5 H5B 98.4(17) . . ?
Na2 C5 H5B 174.4(17) . . ?
H5A C5 H5B 105(2) . . ?
Cr1 C5 H5C 117.5(19) . . ?
Na2 C5 H5C 84(2) . . ?
H5A C5 H5C 108(2) . . ?
H5B C5 H5C 102(3) . . ?
Cr2 C6 Na2 76.11(7) . . ?
Cr2 C6 H6A 117.2(15) . . ?
Na2 C6 H6A 70.9(14) . . ?
Cr2 C6 H6B 119.9(16) . . ?
Na2 C6 H6B 88.0(16) . . ?
H6A C6 H6B 111(2) . . ?
Cr2 C6 H6C 97.2(15) . . ?
Na2 C6 H6C 168.9(18) . . ?
H6A C6 H6C 105(2) . . ?
H6B C6 H6C 103(2) . . ?
Cr2 C7 Cr1 49.30(5) . . ?
Cr2 C7 Na1 86.69(8) . . ?
Cr1 C7 Na1 83.85(7) . . ?
Cr2 C7 H7A 107(2) . . ?
Cr1 C7 H7A 112.4(19) . . ?
Na1 C7 H7A 163(2) . . ?
Cr2 C7 H7B 136.7(19) . . ?
Cr1 C7 H7B 90.3(19) . . ?
Na1 C7 H7B 72.1(18) . . ?
H7A C7 H7B 102(3) . . ?
Cr2 C7 H7C 101.6(19) . . ?
Cr1 C7 H7C 136.0(18) . . ?
Na1 C7 H7C 59.2(17) . . ?
H7A C7 H7C 108(3) . . ?
H7B C7 H7C 99(2) . . ?
C19 N5 C18 109.25(16) . . ?
C19 N5 C17 110.93(16) . . ?
C18 N5 C17 112.22(15) . . ?
C19 N5 Na3 109.20(12) . . ?
C18 N5 Na3 97.99(13) . . ?
C17 N5 Na3 116.46(11) . . ?
C10 N6 C11 108.34(19) . . ?
C10 N6 C12 110.93(16) . . ?
C11 N6 C12 113.01(17) . . ?
C10 N6 Na3 117.32(14) . . ?
C11 N6 Na3 89.46(12) . . ?
C12 N6 Na3 115.78(12) . . ?
N6 C10 H10A 109.5 . . ?
N6 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
N6 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N6 C11 H11A 109.5 . . ?
N6 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
N6 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N6 C12 C13 114.72(16) . . ?
N6 C12 C17 111.28(15) . . ?
C13 C12 C17 110.04(16) . . ?
N6 C12 H12A 106.8 . . ?
C13 C12 H12A 106.8 . . ?
C17 C12 H12A 106.8 . . ?
C14 C13 C12 112.98(17) . . ?
C14 C13 H13A 109.0 . . ?
C12 C13 H13A 109.0 . . ?
C14 C13 H13B 109.0 . . ?
C12 C13 H13B 109.0 . . ?
H13A C13 H13B 107.8 . . ?
C15 C14 C13 110.19(17) . . ?
C15 C14 H14A 109.6 . . ?
C13 C14 H14A 109.6 . . ?
C15 C14 H14B 109.6 . . ?
C13 C14 H14B 109.6 . . ?
H14A C14 H14B 108.1 . . ?
C14 C15 C16 110.33(19) . . ?
C14 C15 H15A 109.6 . . ?
C16 C15 H15A 109.6 . . ?
C14 C15 H15B 109.6 . . ?
C16 C15 H15B 109.6 . . ?
H15A C15 H15B 108.1 . . ?
C15 C16 C17 110.83(18) . . ?
C15 C16 H16A 109.5 . . ?
C17 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C17 C16 H16B 109.5 . . ?
H16A C16 H16B 108.1 . . ?
N5 C17 C12 111.74(16) . . ?
N5 C17 C16 114.58(16) . . ?
C12 C17 C16 110.38(16) . . ?
N5 C17 H17A 106.5 . . ?
C12 C17 H17A 106.5 . . ?
C16 C17 H17A 106.5 . . ?
N5 C18 H18A 109.5 . . ?
N5 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
N5 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N5 C19 H19A 109.5 . . ?
N5 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
N5 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C20 N3 C21 109.59(17) . . ?
C20 N3 C22 110.38(17) . . ?
C21 N3 C22 113.45(16) . . ?
C20 N3 Na2 110.65(12) . . ?
C21 N3 Na2 95.06(12) . . ?
C22 N3 Na2 116.78(11) . . ?
C28 N4 C29 109.75(17) . . ?
C28 N4 C27 113.24(16) . . ?
C29 N4 C27 110.46(16) . . ?
C28 N4 Na2 102.95(13) . . ?
C29 N4 Na2 108.99(12) . . ?
C27 N4 Na2 111.16(11) . . ?
N3 C20 H20A 109.5 . . ?
N3 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
N3 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N3 C21 H21A 109.5 . . ?
N3 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
N3 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N3 C22 C27 112.79(15) . . ?
N3 C22 C23 113.28(16) . . ?
C27 C22 C23 109.35(15) . . ?
N3 C22 H22A 107.0 . . ?
C27 C22 H22A 107.0 . . ?
C23 C22 H22A 107.0 . . ?
C24 C23 C22 112.49(16) . . ?
C24 C23 H23A 109.1 . . ?
C22 C23 H23A 109.1 . . ?
C24 C23 H23B 109.1 . . ?
C22 C23 H23B 109.1 . . ?
H23A C23 H23B 107.8 . . ?
C25 C24 C23 109.78(17) . . ?
C25 C24 H24A 109.7 . . ?
C23 C24 H24A 109.7 . . ?
C25 C24 H24B 109.7 . . ?
C23 C24 H24B 109.7 . . ?
H24A C24 H24B 108.2 . . ?
C24 C25 C26 109.93(17) . . ?
C24 C25 H25A 109.7 . . ?
C26 C25 H25A 109.7 . . ?
C24 C25 H25B 109.7 . . ?
C26 C25 H25B 109.7 . . ?
H25A C25 H25B 108.2 . . ?
C25 C26 C27 112.54(17) . . ?
C25 C26 H26A 109.1 . . ?
C27 C26 H26A 109.1 . . ?
C25 C26 H26B 109.1 . . ?
C27 C26 H26B 109.1 . . ?
H26A C26 H26B 107.8 . . ?
N4 C27 C22 111.99(15) . . ?
N4 C27 C26 113.81(16) . . ?
C22 C27 C26 109.50(15) . . ?
N4 C27 H27A 107.1 . . ?
C22 C27 H27A 107.1 . . ?
C26 C27 H27A 107.1 . . ?
N4 C28 H28A 109.5 . . ?
N4 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
N4 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N4 C29 H29A 109.5 . . ?
N4 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
N4 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C30 N1 C31 110.2(2) . . ?
C30 N1 C32 111.23(18) . . ?
C31 N1 C32 113.25(17) . . ?
C30 N1 Na1 110.96(12) . . ?
C31 N1 Na1 95.76(13) . . ?
C32 N1 Na1 114.55(12) . . ?
C39 N2 C38 109.25(17) . . ?
C39 N2 C37 112.46(16) . . ?
C38 N2 C37 111.23(15) . . ?
C39 N2 Na1 97.74(12) . . ?
C38 N2 Na1 110.67(13) . . ?
C37 N2 Na1 114.71(11) . . ?
N1 C30 H30A 109.5 . . ?
N1 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
N1 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N1 C31 H31A 109.5 . . ?
N1 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
N1 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
N1 C32 C37 111.91(16) . . ?
N1 C32 C33 114.16(17) . . ?
C37 C32 C33 109.43(16) . . ?
N1 C32 H32A 107.0 . . ?
C37 C32 H32A 107.0 . . ?
C33 C32 H32A 107.0 . . ?
C34 C33 C32 111.02(18) . . ?
C34 C33 H33A 109.4 . . ?
C32 C33 H33A 109.4 . . ?
C34 C33 H33B 109.4 . . ?
C32 C33 H33B 109.4 . . ?
H33A C33 H33B 108.0 . . ?
C35 C34 C33 110.23(19) . . ?
C35 C34 H34A 109.6 . . ?
C33 C34 H34A 109.6 . . ?
C35 C34 H34B 109.6 . . ?
C33 C34 H34B 109.6 . . ?
H34A C34 H34B 108.1 . . ?
C34 C35 C36 109.26(17) . . ?
C34 C35 H35A 109.8 . . ?
C36 C35 H35A 109.8 . . ?
C34 C35 H35B 109.8 . . ?
C36 C35 H35B 109.8 . . ?
H35A C35 H35B 108.3 . . ?
C35 C36 C37 111.45(19) . . ?
C35 C36 H36A 109.3 . . ?
C37 C36 H36A 109.3 . . ?
C35 C36 H36B 109.3 . . ?
C37 C36 H36B 109.3 . . ?
H36A C36 H36B 108.0 . . ?
N2 C37 C32 111.29(14) . . ?
N2 C37 C36 113.84(16) . . ?
C32 C37 C36 110.04(16) . . ?
N2 C37 H37A 107.1 . . ?
C32 C37 H37A 107.1 . . ?
C36 C37 H37A 107.1 . . ?
N2 C38 H38A 109.5 . . ?
N2 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
N2 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
N2 C39 H39A 109.5 . . ?
N2 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
N2 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?

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
C5 Cr1 Cr2 C6 -1.64(10) . . . . ?
C3 Cr1 Cr2 C6 97.71(10) . . . . ?
C1 Cr1 Cr2 C6 -166.05(10) . . . . ?
C7 Cr1 Cr2 C6 -76.94(10) . . . . ?
Na2 Cr1 Cr2 C6 44.91(8) . . . . ?
Na3 Cr1 Cr2 C6 145.42(8) . . . . ?
Na1 Cr1 Cr2 C6 -131.64(8) . . . . ?
C5 Cr1 Cr2 C2 160.70(9) . . . . ?
C3 Cr1 Cr2 C2 -99.95(9) . . . . ?
C1 Cr1 Cr2 C2 -3.70(10) . . . . ?
C7 Cr1 Cr2 C2 85.40(9) . . . . ?
Na2 Cr1 Cr2 C2 -152.74(7) . . . . ?
Na3 Cr1 Cr2 C2 -52.24(7) . . . . ?
Na1 Cr1 Cr2 C2 30.71(7) . . . . ?
C5 Cr1 Cr2 C4 -99.35(9) . . . . ?
C3 Cr1 Cr2 C4 0.00(9) . . . . ?
C1 Cr1 Cr2 C4 96.25(9) . . . . ?
C7 Cr1 Cr2 C4 -174.65(9) . . . . ?
Na2 Cr1 Cr2 C4 -52.80(7) . . . . ?
Na3 Cr1 Cr2 C4 47.71(7) . . . . ?
Na1 Cr1 Cr2 C4 130.66(7) . . . . ?
C5 Cr1 Cr2 C7 75.30(9) . . . . ?
C3 Cr1 Cr2 C7 174.65(9) . . . . ?
C1 Cr1 Cr2 C7 -89.11(9) . . . . ?
Na2 Cr1 Cr2 C7 121.85(6) . . . . ?
Na3 Cr1 Cr2 C7 -137.64(6) . . . . ?
Na1 Cr1 Cr2 C7 -54.70(6) . . . . ?
C5 Cr1 Cr2 Na3 -147.06(7) . . . . ?
C3 Cr1 Cr2 Na3 -47.71(6) . . . . ?
C1 Cr1 Cr2 Na3 48.54(7) . . . . ?
C7 Cr1 Cr2 Na3 137.64(6) . . . . ?
Na2 Cr1 Cr2 Na3 -100.51(2) . . . . ?
Na1 Cr1 Cr2 Na3 82.94(2) . . . . ?
C5 Cr1 Cr2 Na2 -46.55(7) . . . . ?
C3 Cr1 Cr2 Na2 52.80(6) . . . . ?
C1 Cr1 Cr2 Na2 149.04(7) . . . . ?
C7 Cr1 Cr2 Na2 -121.85(6) . . . . ?
Na3 Cr1 Cr2 Na2 100.51(2) . . . . ?
Na1 Cr1 Cr2 Na2 -176.55(3) . . . . ?
C5 Cr1 Cr2 Na1 129.99(7) . . . . ?
C3 Cr1 Cr2 Na1 -130.66(6) . . . . ?
C1 Cr1 Cr2 Na1 -34.41(7) . . . . ?
C7 Cr1 Cr2 Na1 54.70(6) . . . . ?
Na2 Cr1 Cr2 Na1 176.55(3) . . . . ?
Na3 Cr1 Cr2 Na1 -82.94(2) . . . . ?
Cr2 Cr1 Na1 N1 -85.05(15) . . . . ?
C5 Cr1 Na1 N1 170.43(17) . . . . ?
C3 Cr1 Na1 N1 19.77(19) . . . . ?
C1 Cr1 Na1 N1 52.52(17) . . . . ?
C7 Cr1 Na1 N1 -154.25(18) . . . . ?
Na2 Cr1 Na1 N1 -91.54(16) . . . . ?
Na3 Cr1 Na1 N1 -11.78(15) . . . . ?
Cr2 Cr1 Na1 C1 -137.57(9) . . . . ?
C5 Cr1 Na1 C1 117.91(12) . . . . ?
C3 Cr1 Na1 C1 -32.75(12) . . . . ?
C7 Cr1 Na1 C1 153.24(12) . . . . ?
Na2 Cr1 Na1 C1 -144.05(9) . . . . ?
Na3 Cr1 Na1 C1 -64.29(9) . . . . ?
Cr2 Cr1 Na1 N2 145.41(6) . . . . ?
C5 Cr1 Na1 N2 40.89(11) . . . . ?
C3 Cr1 Na1 N2 -109.77(11) . . . . ?
C1 Cr1 Na1 N2 -77.03(10) . . . . ?
C7 Cr1 Na1 N2 76.21(10) . . . . ?
Na2 Cr1 Na1 N2 138.92(6) . . . . ?
Na3 Cr1 Na1 N2 -141.32(6) . . . . ?
Cr2 Cr1 Na1 C7 69.20(8) . . . . ?
C5 Cr1 Na1 C7 -35.32(12) . . . . ?
C3 Cr1 Na1 C7 174.02(12) . . . . ?
C1 Cr1 Na1 C7 -153.24(12) . . . . ?
Na2 Cr1 Na1 C7 62.71(10) . . . . ?
Na3 Cr1 Na1 C7 142.47(9) . . . . ?
Cr2 Cr1 Na1 C2 -24.65(6) . . . . ?
C5 Cr1 Na1 C2 -129.18(10) . . . . ?
C3 Cr1 Na1 C2 80.16(11) . . . . ?
C1 Cr1 Na1 C2 112.91(10) . . . . ?
C7 Cr1 Na1 C2 -93.85(10) . . . . ?
Na2 Cr1 Na1 C2 -31.14(8) . . . . ?
Na3 Cr1 Na1 C2 48.62(6) . . . . ?
C5 Cr1 Na1 Cr2 -104.52(9) . . . . ?
C3 Cr1 Na1 Cr2 104.82(9) . . . . ?
C1 Cr1 Na1 Cr2 137.57(9) . . . . ?
C7 Cr1 Na1 Cr2 -69.20(8) . . . . ?
Na2 Cr1 Na1 Cr2 -6.49(5) . . . . ?
Na3 Cr1 Na1 Cr2 73.27(2) . . . . ?
Cr2 Cr1 Na1 Na3 -73.27(2) . . . . ?
C5 Cr1 Na1 Na3 -177.79(9) . . . . ?
C3 Cr1 Na1 Na3 31.55(9) . . . . ?
C1 Cr1 Na1 Na3 64.29(8) . . . . ?
C7 Cr1 Na1 Na3 -142.47(8) . . . . ?
Na2 Cr1 Na1 Na3 -79.76(5) . . . . ?
Cr1 Cr2 Na1 N1 148.46(9) . . . . ?
C6 Cr2 Na1 N1 -108.01(13) . . . . ?
C2 Cr2 Na1 N1 5.71(11) . . . . ?
C4 Cr2 Na1 N1 45.60(13) . . . . ?
C7 Cr2 Na1 N1 -137.82(12) . . . . ?
Na3 Cr2 Na1 N1 73.40(8) . . . . ?
Na2 Cr2 Na1 N1 153.56(8) . . . . ?
Cr1 Cr2 Na1 C1 28.77(6) . . . . ?
C6 Cr2 Na1 C1 132.29(12) . . . . ?
C2 Cr2 Na1 C1 -113.98(10) . . . . ?
C4 Cr2 Na1 C1 -74.09(11) . . . . ?
C7 Cr2 Na1 C1 102.49(10) . . . . ?
Na3 Cr2 Na1 C1 -46.29(6) . . . . ?
Na2 Cr2 Na1 C1 33.87(7) . . . . ?
Cr1 Cr2 Na1 N2 -61.17(9) . . . . ?
C6 Cr2 Na1 N2 42.35(14) . . . . ?
C2 Cr2 Na1 N2 156.08(13) . . . . ?
C4 Cr2 Na1 N2 -164.03(12) . . . . ?
C7 Cr2 Na1 N2 12.54(12) . . . . ?
Na3 Cr2 Na1 N2 -136.23(9) . . . . ?
Na2 Cr2 Na1 N2 -56.07(11) . . . . ?
Cr1 Cr2 Na1 C7 -73.72(8) . . . . ?
C6 Cr2 Na1 C7 29.81(13) . . . . ?
C2 Cr2 Na1 C7 143.53(12) . . . . ?
C4 Cr2 Na1 C7 -176.58(13) . . . . ?
Na3 Cr2 Na1 C7 -148.78(8) . . . . ?
Na2 Cr2 Na1 C7 -68.62(9) . . . . ?
Cr1 Cr2 Na1 C2 142.75(8) . . . . ?
C6 Cr2 Na1 C2 -113.72(13) . . . . ?
C4 Cr2 Na1 C2 39.89(12) . . . . ?
C7 Cr2 Na1 C2 -143.53(12) . . . . ?
Na3 Cr2 Na1 C2 67.69(8) . . . . ?
Na2 Cr2 Na1 C2 147.85(9) . . . . ?
C6 Cr2 Na1 Cr1 103.52(10) . . . . ?
C2 Cr2 Na1 Cr1 -142.75(8) . . . . ?
C4 Cr2 Na1 Cr1 -102.86(9) . . . . ?
C7 Cr2 Na1 Cr1 73.72(8) . . . . ?
Na3 Cr2 Na1 Cr1 -75.06(2) . . . . ?
Na2 Cr2 Na1 Cr1 5.10(4) . . . . ?
Cr1 Cr2 Na1 Na3 75.06(2) . . . . ?
C6 Cr2 Na1 Na3 178.58(10) . . . . ?
C2 Cr2 Na1 Na3 -67.69(8) . . . . ?
C4 Cr2 Na1 Na3 -27.80(9) . . . . ?
C7 Cr2 Na1 Na3 148.78(8) . . . . ?
Na2 Cr2 Na1 Na3 80.16(4) . . . . ?
Cr2 Cr1 Na2 N3 -49.5(2) . . . . ?
C5 Cr1 Na2 N3 77.5(2) . . . . ?
C3 Cr1 Na2 N3 -173.0(2) . . . . ?
C1 Cr1 Na2 N3 -157.8(2) . . . . ?
C7 Cr1 Na2 N3 5.4(2) . . . . ?
Na3 Cr1 Na2 N3 -118.5(2) . . . . ?
Na1 Cr1 Na2 N3 -42.9(2) . . . . ?
Cr2 Cr1 Na2 C5 -126.99(8) . . . . ?
C3 Cr1 Na2 C5 109.47(11) . . . . ?
C1 Cr1 Na2 C5 124.72(14) . . . . ?
C7 Cr1 Na2 C5 -72.08(10) . . . . ?
Na3 Cr1 Na2 C5 163.98(8) . . . . ?
Na1 Cr1 Na2 C5 -120.44(9) . . . . ?
Cr2 Cr1 Na2 N4 162.35(6) . . . . ?
C5 Cr1 Na2 N4 -70.66(10) . . . . ?
C3 Cr1 Na2 N4 38.80(9) . . . . ?
C1 Cr1 Na2 N4 54.06(14) . . . . ?
C7 Cr1 Na2 N4 -142.75(9) . . . . ?
Na3 Cr1 Na2 N4 93.31(6) . . . . ?
Na1 Cr1 Na2 N4 168.89(6) . . . . ?
Cr2 Cr1 Na2 C6 -31.95(6) . . . . ?
C5 Cr1 Na2 C6 95.04(10) . . . . ?
C3 Cr1 Na2 C6 -155.49(10) . . . . ?
C1 Cr1 Na2 C6 -140.23(14) . . . . ?
C7 Cr1 Na2 C6 22.96(9) . . . . ?
Na3 Cr1 Na2 C6 -100.98(7) . . . . ?
Na1 Cr1 Na2 C6 -25.40(8) . . . . ?
Cr2 Cr1 Na2 C3 123.54(7) . . . . ?
C5 Cr1 Na2 C3 -109.47(11) . . . . ?
C1 Cr1 Na2 C3 15.26(14) . . . . ?
C7 Cr1 Na2 C3 178.45(10) . . . . ?
Na3 Cr1 Na2 C3 54.51(7) . . . . ?
Na1 Cr1 Na2 C3 130.09(8) . . . . ?
Cr2 Cr1 Na2 C4 35.22(5) . . . . ?
C5 Cr1 Na2 C4 162.21(9) . . . . ?
C3 Cr1 Na2 C4 -88.33(9) . . . . ?
C1 Cr1 Na2 C4 -73.07(13) . . . . ?
C7 Cr1 Na2 C4 90.12(9) . . . . ?
Na3 Cr1 Na2 C4 -33.82(6) . . . . ?
Na1 Cr1 Na2 C4 41.76(7) . . . . ?
C5 Cr1 Na2 Cr2 126.99(8) . . . . ?
C3 Cr1 Na2 Cr2 -123.54(7) . . . . ?
C1 Cr1 Na2 Cr2 -108.29(12) . . . . ?
C7 Cr1 Na2 Cr2 54.91(7) . . . . ?
Na3 Cr1 Na2 Cr2 -69.03(2) . . . . ?
Na1 Cr1 Na2 Cr2 6.55(5) . . . . ?
Cr1 Cr2 Na2 N3 164.65(7) . . . . ?
C6 Cr2 Na2 N3 32.54(11) . . . . ?
C2 Cr2 Na2 N3 -95.46(16) . . . . ?
C4 Cr2 Na2 N3 -68.76(10) . . . . ?
C7 Cr2 Na2 N3 110.14(9) . . . . ?
Na3 Cr2 Na2 N3 -125.73(7) . . . . ?
Na1 Cr2 Na2 N3 159.51(7) . . . . ?
Cr1 Cr2 Na2 C5 36.20(6) . . . . ?
C6 Cr2 Na2 C5 -95.91(10) . . . . ?
C2 Cr2 Na2 C5 136.09(15) . . . . ?
C4 Cr2 Na2 C5 162.79(9) . . . . ?
C7 Cr2 Na2 C5 -18.32(8) . . . . ?
Na3 Cr2 Na2 C5 105.81(6) . . . . ?
Na1 Cr2 Na2 C5 31.05(7) . . . . ?
Cr1 Cr2 Na2 N4 -41.26(14) . . . . ?
C6 Cr2 Na2 N4 -173.37(17) . . . . ?
C2 Cr2 Na2 N4 58.6(2) . . . . ?
C4 Cr2 Na2 N4 85.33(16) . . . . ?
C7 Cr2 Na2 N4 -95.77(16) . . . . ?
Na3 Cr2 Na2 N4 28.36(14) . . . . ?
Na1 Cr2 Na2 N4 -46.40(16) . . . . ?
Cr1 Cr2 Na2 C6 132.11(9) . . . . ?
C2 Cr2 Na2 C6 -128.00(17) . . . . ?
C4 Cr2 Na2 C6 -101.30(11) . . . . ?
C7 Cr2 Na2 C6 77.59(11) . . . . ?
Na3 Cr2 Na2 C6 -158.28(9) . . . . ?
Na1 Cr2 Na2 C6 126.96(9) . . . . ?
Cr1 Cr2 Na2 C3 -37.81(6) . . . . ?
C6 Cr2 Na2 C3 -169.92(11) . . . . ?
C2 Cr2 Na2 C3 62.08(15) . . . . ?
C4 Cr2 Na2 C3 88.78(9) . . . . ?
C7 Cr2 Na2 C3 -92.32(8) . . . . ?
Na3 Cr2 Na2 C3 31.81(6) . . . . ?
Na1 Cr2 Na2 C3 -42.95(7) . . . . ?
Cr1 Cr2 Na2 C4 -126.59(7) . . . . ?
C6 Cr2 Na2 C4 101.30(11) . . . . ?
C2 Cr2 Na2 C4 -26.70(16) . . . . ?
C7 Cr2 Na2 C4 178.89(10) . . . . ?
Na3 Cr2 Na2 C4 -56.98(7) . . . . ?
Na1 Cr2 Na2 C4 -131.74(8) . . . . ?
C6 Cr2 Na2 Cr1 -132.11(9) . . . . ?
C2 Cr2 Na2 Cr1 99.89(14) . . . . ?
C4 Cr2 Na2 Cr1 126.59(7) . . . . ?
C7 Cr2 Na2 Cr1 -54.51(6) . . . . ?
Na3 Cr2 Na2 Cr1 69.62(2) . . . . ?
Na1 Cr2 Na2 Cr1 -5.15(4) . . . . ?
Cr1 Cr2 Na3 N6 -147.79(6) . . . . ?
C6 Cr2 Na3 N6 107.86(15) . . . . ?
C2 Cr2 Na3 N6 -21.38(9) . . . . ?
C4 Cr2 Na3 N6 83.50(9) . . . . ?
C7 Cr2 Na3 N6 -101.97(9) . . . . ?
Na2 Cr2 Na3 N6 144.82(6) . . . . ?
Na1 Cr2 Na3 N6 -74.00(6) . . . . ?
Cr1 Cr2 Na3 N5 88.59(11) . . . . ?
C6 Cr2 Na3 N5 -15.76(19) . . . . ?
C2 Cr2 Na3 N5 -145.00(13) . . . . ?
C4 Cr2 Na3 N5 -40.12(13) . . . . ?
C7 Cr2 Na3 N5 134.41(13) . . . . ?
Na2 Cr2 Na3 N5 21.20(11) . . . . ?
Na1 Cr2 Na3 N5 162.38(11) . . . . ?
Cr1 Cr2 Na3 C3 35.17(5) . . . . ?
C6 Cr2 Na3 C3 -69.18(15) . . . . ?
C2 Cr2 Na3 C3 161.58(9) . . . . ?
C4 Cr2 Na3 C3 -93.54(9) . . . . ?
C7 Cr2 Na3 C3 80.99(9) . . . . ?
Na2 Cr2 Na3 C3 -32.22(6) . . . . ?
Na1 Cr2 Na3 C3 108.96(6) . . . . ?
Cr1 Cr2 Na3 C4 128.71(7) . . . . ?
C6 Cr2 Na3 C4 24.36(15) . . . . ?
C2 Cr2 Na3 C4 -104.88(10) . . . . ?
C7 Cr2 Na3 C4 174.53(10) . . . . ?
Na2 Cr2 Na3 C4 61.32(7) . . . . ?
Na1 Cr2 Na3 C4 -157.49(7) . . . . ?
Cr1 Cr2 Na3 C1 -34.23(5) . . . . ?
C6 Cr2 Na3 C1 -138.57(14) . . . . ?
C2 Cr2 Na3 C1 92.19(8) . . . . ?
C4 Cr2 Na3 C1 -162.94(9) . . . . ?
C7 Cr2 Na3 C1 11.59(8) . . . . ?
Na2 Cr2 Na3 C1 -101.61(5) . . . . ?
Na1 Cr2 Na3 C1 39.57(5) . . . . ?
Cr1 Cr2 Na3 C2 -126.41(7) . . . . ?
C6 Cr2 Na3 C2 129.24(15) . . . . ?
C4 Cr2 Na3 C2 104.88(10) . . . . ?
C7 Cr2 Na3 C2 -80.59(10) . . . . ?
Na2 Cr2 Na3 C2 166.20(7) . . . . ?
Na1 Cr2 Na3 C2 -52.62(7) . . . . ?
C6 Cr2 Na3 Cr1 -104.35(14) . . . . ?
C2 Cr2 Na3 Cr1 126.41(7) . . . . ?
C4 Cr2 Na3 Cr1 -128.71(7) . . . . ?
C7 Cr2 Na3 Cr1 45.82(7) . . . . ?
Na2 Cr2 Na3 Cr1 -67.39(2) . . . . ?
Na1 Cr2 Na3 Cr1 73.794(19) . . . . ?
Cr1 Cr2 Na3 Na1 -73.794(19) . . . . ?
C6 Cr2 Na3 Na1 -178.14(14) . . . . ?
C2 Cr2 Na3 Na1 52.62(7) . . . . ?
C4 Cr2 Na3 Na1 157.49(7) . . . . ?
C7 Cr2 Na3 Na1 -27.98(7) . . . . ?
Na2 Cr2 Na3 Na1 -141.18(2) . . . . ?
Cr2 Cr1 Na3 N6 71.71(11) . . . . ?
C5 Cr1 Na3 N6 170.08(16) . . . . ?
C3 Cr1 Na3 N6 -160.67(13) . . . . ?
C1 Cr1 Na3 N6 -57.76(12) . . . . ?
C7 Cr1 Na3 N6 26.99(13) . . . . ?
Na2 Cr1 Na3 N6 142.92(11) . . . . ?
Na1 Cr1 Na3 N6 -6.74(11) . . . . ?
Cr2 Cr1 Na3 N5 -141.60(7) . . . . ?
C5 Cr1 Na3 N5 -43.23(15) . . . . ?
C3 Cr1 Na3 N5 -13.98(9) . . . . ?
C1 Cr1 Na3 N5 88.93(9) . . . . ?
C7 Cr1 Na3 N5 173.68(9) . . . . ?
Na2 Cr1 Na3 N5 -70.39(6) . . . . ?
Na1 Cr1 Na3 N5 139.95(7) . . . . ?
Cr2 Cr1 Na3 C3 -127.63(7) . . . . ?
C5 Cr1 Na3 C3 -29.26(15) . . . . ?
C1 Cr1 Na3 C3 102.90(9) . . . . ?
C7 Cr1 Na3 C3 -172.34(10) . . . . ?
Na2 Cr1 Na3 C3 -56.42(7) . . . . ?
Na1 Cr1 Na3 C3 153.92(7) . . . . ?
Cr2 Cr1 Na3 C4 -34.82(6) . . . . ?
C5 Cr1 Na3 C4 63.55(14) . . . . ?
C3 Cr1 Na3 C4 92.81(9) . . . . ?
C1 Cr1 Na3 C4 -164.29(8) . . . . ?
C7 Cr1 Na3 C4 -79.53(9) . . . . ?
Na2 Cr1 Na3 C4 36.39(6) . . . . ?
Na1 Cr1 Na3 C4 -113.27(6) . . . . ?
Cr2 Cr1 Na3 C1 129.47(6) . . . . ?
C5 Cr1 Na3 C1 -132.16(14) . . . . ?
C3 Cr1 Na3 C1 -102.90(9) . . . . ?
C7 Cr1 Na3 C1 84.76(9) . . . . ?
Na2 Cr1 Na3 C1 -159.32(6) . . . . ?
Na1 Cr1 Na3 C1 51.02(6) . . . . ?
Cr2 Cr1 Na3 C2 35.73(5) . . . . ?
C5 Cr1 Na3 C2 134.10(14) . . . . ?
C3 Cr1 Na3 C2 163.35(8) . . . . ?
C1 Cr1 Na3 C2 -93.74(8) . . . . ?
C7 Cr1 Na3 C2 -8.99(8) . . . . ?
Na2 Cr1 Na3 C2 106.94(5) . . . . ?
Na1 Cr1 Na3 C2 -42.72(5) . . . . ?
C5 Cr1 Na3 Cr2 98.37(13) . . . . ?
C3 Cr1 Na3 Cr2 127.63(7) . . . . ?
C1 Cr1 Na3 Cr2 -129.47(6) . . . . ?
C7 Cr1 Na3 Cr2 -44.71(7) . . . . ?
Na2 Cr1 Na3 Cr2 71.21(2) . . . . ?
Na1 Cr1 Na3 Cr2 -78.450(19) . . . . ?
Cr2 Cr1 Na3 Na1 78.450(19) . . . . ?
C5 Cr1 Na3 Na1 176.82(13) . . . . ?
C3 Cr1 Na3 Na1 -153.92(7) . . . . ?
C1 Cr1 Na3 Na1 -51.02(6) . . . . ?
C7 Cr1 Na3 Na1 33.74(7) . . . . ?
Na2 Cr1 Na3 Na1 149.66(2) . . . . ?
N1 Na1 Na3 N6 -7.19(7) . . . . ?
C1 Na1 Na3 N6 -123.70(8) . . . . ?
N2 Na1 Na3 N6 -94.37(10) . . . . ?
C7 Na1 Na3 N6 151.99(7) . . . . ?
C2 Na1 Na3 N6 75.18(8) . . . . ?
Cr1 Na1 Na3 N6 177.05(5) . . . . ?
Cr2 Na1 Na3 N6 131.44(5) . . . . ?
N1 Na1 Na3 N5 56.08(11) . . . . ?
C1 Na1 Na3 N5 -60.43(11) . . . . ?
N2 Na1 Na3 N5 -31.10(14) . . . . ?
C7 Na1 Na3 N5 -144.74(11) . . . . ?
C2 Na1 Na3 N5 138.44(11) . . . . ?
Cr1 Na1 Na3 N5 -119.68(9) . . . . ?
Cr2 Na1 Na3 N5 -165.29(9) . . . . ?
N1 Na1 Na3 C3 158.21(7) . . . . ?
C1 Na1 Na3 C3 41.69(8) . . . . ?
N2 Na1 Na3 C3 71.02(10) . . . . ?
C7 Na1 Na3 C3 -42.62(8) . . . . ?
C2 Na1 Na3 C3 -119.43(8) . . . . ?
Cr1 Na1 Na3 C3 -17.55(5) . . . . ?
Cr2 Na1 Na3 C3 -63.17(5) . . . . ?
N1 Na1 Na3 C4 -123.15(7) . . . . ?
C1 Na1 Na3 C4 120.34(8) . . . . ?
N2 Na1 Na3 C4 149.67(10) . . . . ?
C7 Na1 Na3 C4 36.03(8) . . . . ?
C2 Na1 Na3 C4 -40.78(8) . . . . ?
Cr1 Na1 Na3 C4 61.09(5) . . . . ?
Cr2 Na1 Na3 C4 15.48(5) . . . . ?
N1 Na1 Na3 C1 116.51(8) . . . . ?
N2 Na1 Na3 C1 29.33(10) . . . . ?
C7 Na1 Na3 C1 -84.31(9) . . . . ?
C2 Na1 Na3 C1 -161.12(9) . . . . ?
Cr1 Na1 Na3 C1 -59.25(6) . . . . ?
Cr2 Na1 Na3 C1 -104.86(7) . . . . ?
N1 Na1 Na3 C2 -82.36(8) . . . . ?
C1 Na1 Na3 C2 161.12(9) . . . . ?
N2 Na1 Na3 C2 -169.55(11) . . . . ?
C7 Na1 Na3 C2 76.81(9) . . . . ?
Cr1 Na1 Na3 C2 101.87(7) . . . . ?
Cr2 Na1 Na3 C2 56.26(6) . . . . ?
N1 Na1 Na3 Cr2 -138.63(6) . . . . ?
C1 Na1 Na3 Cr2 104.86(7) . . . . ?
N2 Na1 Na3 Cr2 134.19(9) . . . . ?
C7 Na1 Na3 Cr2 20.55(6) . . . . ?
C2 Na1 Na3 Cr2 -56.26(6) . . . . ?
Cr1 Na1 Na3 Cr2 45.612(14) . . . . ?
N1 Na1 Na3 Cr1 175.76(6) . . . . ?
C1 Na1 Na3 Cr1 59.25(6) . . . . ?
N2 Na1 Na3 Cr1 88.58(9) . . . . ?
C7 Na1 Na3 Cr1 -25.06(6) . . . . ?
C2 Na1 Na3 Cr1 -101.87(7) . . . . ?
Cr2 Na1 Na3 Cr1 -45.612(14) . . . . ?
Cr2 Cr1 C1 Na1 45.30(8) . . . . ?
C5 Cr1 C1 Na1 -114.17(11) . . . . ?
C3 Cr1 C1 Na1 156.55(9) . . . . ?
C7 Cr1 C1 Na1 -21.12(9) . . . . ?
Na2 Cr1 C1 Na1 142.91(8) . . . . ?
Na3 Cr1 C1 Na1 97.94(7) . . . . ?
Cr2 Cr1 C1 Na3 -52.64(5) . . . . ?
C5 Cr1 C1 Na3 147.89(10) . . . . ?
C3 Cr1 C1 Na3 58.61(7) . . . . ?
C7 Cr1 C1 Na3 -119.06(7) . . . . ?
Na2 Cr1 C1 Na3 44.97(13) . . . . ?
Na1 Cr1 C1 Na3 -97.94(7) . . . . ?
N1 Na1 C1 Cr1 -161.28(7) . . . . ?
N2 Na1 C1 Cr1 122.66(7) . . . . ?
C7 Na1 C1 Cr1 18.34(8) . . . . ?
C2 Na1 C1 Cr1 -59.29(8) . . . . ?
Cr2 Na1 C1 Cr1 -23.29(4) . . . . ?
Na3 Na1 C1 Cr1 -72.68(6) . . . . ?
N1 Na1 C1 Na3 -88.60(8) . . . . ?
N2 Na1 C1 Na3 -164.66(5) . . . . ?
C7 Na1 C1 Na3 91.02(7) . . . . ?
C2 Na1 C1 Na3 13.39(7) . . . . ?
Cr1 Na1 C1 Na3 72.68(6) . . . . ?
Cr2 Na1 C1 Na3 49.38(4) . . . . ?
N6 Na3 C1 Cr1 155.31(6) . . . . ?
N5 Na3 C1 Cr1 -125.94(6) . . . . ?
C3 Na3 C1 Cr1 -47.42(6) . . . . ?
C4 Na3 C1 Cr1 16.24(9) . . . . ?
C2 Na3 C1 Cr1 73.09(6) . . . . ?
Cr2 Na3 C1 Cr1 29.05(3) . . . . ?
Na1 Na3 C1 Cr1 85.51(7) . . . . ?
N6 Na3 C1 Na1 69.80(8) . . . . ?
N5 Na3 C1 Na1 148.55(6) . . . . ?
C3 Na3 C1 Na1 -132.92(8) . . . . ?
C4 Na3 C1 Na1 -69.27(8) . . . . ?
C2 Na3 C1 Na1 -12.42(6) . . . . ?
Cr2 Na3 C1 Na1 -56.46(5) . . . . ?
Cr1 Na3 C1 Na1 -85.51(7) . . . . ?
Cr1 Cr2 C2 Na1 -38.32(8) . . . . ?
C6 Cr2 C2 Na1 119.70(11) . . . . ?
C4 Cr2 C2 Na1 -152.46(8) . . . . ?
C7 Cr2 C2 Na1 27.56(9) . . . . ?
Na3 Cr2 C2 Na1 -94.37(6) . . . . ?
Na2 Cr2 C2 Na1 -128.06(11) . . . . ?
Cr1 Cr2 C2 Na3 56.05(5) . . . . ?
C6 Cr2 C2 Na3 -145.94(11) . . . . ?
C4 Cr2 C2 Na3 -58.09(7) . . . . ?
C7 Cr2 C2 Na3 121.93(7) . . . . ?
Na2 Cr2 C2 Na3 -33.70(15) . . . . ?
Na1 Cr2 C2 Na3 94.37(6) . . . . ?
N1 Na1 C2 Cr2 -176.31(7) . . . . ?
C1 Na1 C2 Cr2 58.80(8) . . . . ?
N2 Na1 C2 Cr2 -128.0(2) . . . . ?
C7 Na1 C2 Cr2 -24.27(8) . . . . ?
Cr1 Na1 C2 Cr2 20.84(5) . . . . ?
Na3 Na1 C2 Cr2 71.89(7) . . . . ?
N1 Na1 C2 Na3 111.80(7) . . . . ?
C1 Na1 C2 Na3 -13.09(7) . . . . ?
N2 Na1 C2 Na3 160.1(2) . . . . ?
C7 Na1 C2 Na3 -96.16(7) . . . . ?
Cr1 Na1 C2 Na3 -51.05(4) . . . . ?
Cr2 Na1 C2 Na3 -71.89(7) . . . . ?
N6 Na3 C2 Cr2 163.82(6) . . . . ?
N5 Na3 C2 Cr2 144.92(12) . . . . ?
C3 Na3 C2 Cr2 -18.62(8) . . . . ?
C4 Na3 C2 Cr2 47.19(6) . . . . ?
C1 Na3 C2 Cr2 -75.58(6) . . . . ?
Cr1 Na3 C2 Cr2 -30.78(4) . . . . ?
Na1 Na3 C2 Cr2 -87.50(7) . . . . ?
N6 Na3 C2 Na1 -108.68(6) . . . . ?
N5 Na3 C2 Na1 -127.58(13) . . . . ?
C3 Na3 C2 Na1 68.88(8) . . . . ?
C4 Na3 C2 Na1 134.69(9) . . . . ?
C1 Na3 C2 Na1 11.93(6) . . . . ?
Cr2 Na3 C2 Na1 87.50(7) . . . . ?
Cr1 Na3 C2 Na1 56.73(5) . . . . ?
Cr2 Cr1 C3 Na3 53.20(5) . . . . ?
C5 Cr1 C3 Na3 165.40(7) . . . . ?
C1 Cr1 C3 Na3 -60.58(7) . . . . ?
C7 Cr1 C3 Na3 99.4(8) . . . . ?
Na2 Cr1 C3 Na3 111.88(6) . . . . ?
Na1 Cr1 C3 Na3 -35.93(9) . . . . ?
Cr2 Cr1 C3 Na2 -58.68(5) . . . . ?
C5 Cr1 C3 Na2 53.53(7) . . . . ?
C1 Cr1 C3 Na2 -172.46(7) . . . . ?
C7 Cr1 C3 Na2 -12.5(8) . . . . ?
Na3 Cr1 C3 Na2 -111.88(6) . . . . ?
Na1 Cr1 C3 Na2 -147.81(5) . . . . ?
N6 Na3 C3 Cr1 156.33(16) . . . . ?
N5 Na3 C3 Cr1 170.30(6) . . . . ?
C4 Na3 C3 Cr1 -75.02(7) . . . . ?
C1 Na3 C3 Cr1 47.91(6) . . . . ?
C2 Na3 C3 Cr1 -16.75(9) . . . . ?
Cr2 Na3 C3 Cr1 -30.08(4) . . . . ?
Na1 Na3 C3 Cr1 20.65(5) . . . . ?
N6 Na3 C3 Na2 -136.31(16) . . . . ?
N5 Na3 C3 Na2 -122.34(8) . . . . ?
C4 Na3 C3 Na2 -7.65(8) . . . . ?
C1 Na3 C3 Na2 115.28(9) . . . . ?
C2 Na3 C3 Na2 50.62(10) . . . . ?
Cr2 Na3 C3 Na2 37.29(6) . . . . ?
Cr1 Na3 C3 Na2 67.37(7) . . . . ?
Na1 Na3 C3 Na2 88.02(7) . . . . ?
N3 Na2 C3 Cr1 176.29(12) . . . . ?
C5 Na2 C3 Cr1 -44.99(7) . . . . ?
N4 Na2 C3 Cr1 -149.15(7) . . . . ?
C6 Na2 C3 Cr1 24.88(10) . . . . ?
C4 Na2 C3 Cr1 76.45(7) . . . . ?
Cr2 Na2 C3 Cr1 32.15(4) . . . . ?
N3 Na2 C3 Na3 107.05(14) . . . . ?
C5 Na2 C3 Na3 -114.23(9) . . . . ?
N4 Na2 C3 Na3 141.62(8) . . . . ?
C6 Na2 C3 Na3 -44.35(11) . . . . ?
C4 Na2 C3 Na3 7.22(7) . . . . ?
Cr1 Na2 C3 Na3 -69.23(6) . . . . ?
Cr2 Na2 C3 Na3 -37.08(6) . . . . ?
Cr1 Cr2 C4 Na3 -53.29(6) . . . . ?
C6 Cr2 C4 Na3 -167.11(8) . . . . ?
C2 Cr2 C4 Na3 61.26(7) . . . . ?
C7 Cr2 C4 Na3 -119.0(10) . . . . ?
Na2 Cr2 C4 Na3 -107.62(6) . . . . ?
Na1 Cr2 C4 Na3 31.27(10) . . . . ?
Cr1 Cr2 C4 Na2 54.33(5) . . . . ?
C6 Cr2 C4 Na2 -59.49(7) . . . . ?
C2 Cr2 C4 Na2 168.88(7) . . . . ?
C7 Cr2 C4 Na2 -11.4(10) . . . . ?
Na3 Cr2 C4 Na2 107.62(6) . . . . ?
Na1 Cr2 C4 Na2 138.89(5) . . . . ?
N6 Na3 C4 Cr2 -123.87(7) . . . . ?
N5 Na3 C4 Cr2 162.10(6) . . . . ?
C3 Na3 C4 Cr2 73.72(7) . . . . ?
C1 Na3 C4 Cr2 17.64(9) . . . . ?
C2 Na3 C4 Cr2 -46.04(6) . . . . ?
Cr1 Na3 C4 Cr2 29.41(4) . . . . ?
Na1 Na3 C4 Cr2 -18.34(6) . . . . ?
N6 Na3 C4 Na2 169.46(6) . . . . ?
N5 Na3 C4 Na2 95.43(8) . . . . ?
C3 Na3 C4 Na2 7.05(7) . . . . ?
C1 Na3 C4 Na2 -49.03(9) . . . . ?
C2 Na3 C4 Na2 -112.71(9) . . . . ?
Cr2 Na3 C4 Na2 -66.67(6) . . . . ?
Cr1 Na3 C4 Na2 -37.26(5) . . . . ?
Na1 Na3 C4 Na2 -85.01(6) . . . . ?
N3 Na2 C4 Cr2 133.51(6) . . . . ?
C5 Na2 C4 Cr2 -17.54(9) . . . . ?
N4 Na2 C4 Cr2 -149.80(7) . . . . ?
C6 Na2 C4 Cr2 48.15(7) . . . . ?
C3 Na2 C4 Cr2 -76.48(7) . . . . ?
Cr1 Na2 C4 Cr2 -30.84(4) . . . . ?
N3 Na2 C4 Na3 -157.05(7) . . . . ?
C5 Na2 C4 Na3 51.90(10) . . . . ?
N4 Na2 C4 Na3 -80.36(9) . . . . ?
C6 Na2 C4 Na3 117.59(9) . . . . ?
C3 Na2 C4 Na3 -7.04(7) . . . . ?
Cr1 Na2 C4 Na3 38.60(5) . . . . ?
Cr2 Na2 C4 Na3 69.44(6) . . . . ?
Cr2 Cr1 C5 Na2 54.83(6) . . . . ?
C3 Cr1 C5 Na2 -57.58(8) . . . . ?
C1 Cr1 C5 Na2 -145.28(10) . . . . ?
C7 Cr1 C5 Na2 116.26(8) . . . . ?
Na3 Cr1 C5 Na2 -32.26(15) . . . . ?
Na1 Cr1 C5 Na2 143.53(5) . . . . ?
N3 Na2 C5 Cr1 -160.73(7) . . . . ?
N4 Na2 C5 Cr1 127.66(7) . . . . ?
C6 Na2 C5 Cr1 -73.20(7) . . . . ?
C3 Na2 C5 Cr1 43.95(6) . . . . ?
C4 Na2 C5 Cr1 -17.89(9) . . . . ?
Cr2 Na2 C5 Cr1 -30.22(4) . . . . ?
Cr1 Cr2 C6 Na2 -48.91(7) . . . . ?
C2 Cr2 C6 Na2 153.10(9) . . . . ?
C4 Cr2 C6 Na2 64.38(8) . . . . ?
C7 Cr2 C6 Na2 -111.63(8) . . . . ?
Na3 Cr2 C6 Na2 43.13(15) . . . . ?
Na1 Cr2 C6 Na2 -134.31(6) . . . . ?
N3 Na2 C6 Cr2 -156.58(8) . . . . ?
C5 Na2 C6 Cr2 72.93(8) . . . . ?
N4 Na2 C6 Cr2 172.92(18) . . . . ?
C3 Na2 C6 Cr2 10.09(11) . . . . ?
C4 Na2 C6 Cr2 -47.76(7) . . . . ?
Cr1 Na2 C6 Cr2 27.87(5) . . . . ?
C6 Cr2 C7 Cr1 115.93(7) . . . . ?
C2 Cr2 C7 Cr1 -112.44(7) . . . . ?
C4 Cr2 C7 Cr1 67.8(10) . . . . ?
Na3 Cr2 C7 Cr1 -48.46(6) . . . . ?
Na2 Cr2 C7 Cr1 56.83(4) . . . . ?
Na1 Cr2 C7 Cr1 -84.73(6) . . . . ?
Cr1 Cr2 C7 Na1 84.73(6) . . . . ?
C6 Cr2 C7 Na1 -159.34(9) . . . . ?
C2 Cr2 C7 Na1 -27.71(8) . . . . ?
C4 Cr2 C7 Na1 152.5(10) . . . . ?
Na3 Cr2 C7 Na1 36.27(9) . . . . ?
Na2 Cr2 C7 Na1 141.56(5) . . . . ?
C5 Cr1 C7 Cr2 -114.56(7) . . . . ?
C3 Cr1 C7 Cr2 -48.2(8) . . . . ?
C1 Cr1 C7 Cr2 111.47(7) . . . . ?
Na2 Cr1 C7 Cr2 -60.14(5) . . . . ?
Na3 Cr1 C7 Cr2 47.36(6) . . . . ?
Na1 Cr1 C7 Cr2 90.92(6) . . . . ?
Cr2 Cr1 C7 Na1 -90.92(6) . . . . ?
C5 Cr1 C7 Na1 154.51(8) . . . . ?
C3 Cr1 C7 Na1 -139.2(7) . . . . ?
C1 Cr1 C7 Na1 20.55(9) . . . . ?
Na2 Cr1 C7 Na1 -151.07(4) . . . . ?
Na3 Cr1 C7 Na1 -43.57(8) . . . . ?
N1 Na1 C7 Cr2 112.27(15) . . . . ?
C1 Na1 C7 Cr2 -67.04(8) . . . . ?
N2 Na1 C7 Cr2 -173.07(7) . . . . ?
C2 Na1 C7 Cr2 23.04(7) . . . . ?
Cr1 Na1 C7 Cr2 -49.40(5) . . . . ?
Na3 Na1 C7 Cr2 -22.46(6) . . . . ?
N1 Na1 C7 Cr1 161.68(13) . . . . ?
C1 Na1 C7 Cr1 -17.63(8) . . . . ?
N2 Na1 C7 Cr1 -123.67(7) . . . . ?
C2 Na1 C7 Cr1 72.45(8) . . . . ?
Cr2 Na1 C7 Cr1 49.40(5) . . . . ?
Na3 Na1 C7 Cr1 26.94(6) . . . . ?
N6 Na3 N5 C19 -137.28(14) . . . . ?
C3 Na3 N5 C19 48.06(14) . . . . ?
C4 Na3 N5 C19 -30.70(15) . . . . ?
C1 Na3 N5 C19 110.98(13) . . . . ?
C2 Na3 N5 C19 -116.59(17) . . . . ?
Cr2 Na3 N5 C19 -1.2(2) . . . . ?
Cr1 Na3 N5 C19 57.61(15) . . . . ?
Na1 Na3 N5 C19 150.15(12) . . . . ?
N6 Na3 N5 C18 109.06(12) . . . . ?
C3 Na3 N5 C18 -65.60(12) . . . . ?
C4 Na3 N5 C18 -144.37(12) . . . . ?
C1 Na3 N5 C18 -2.68(13) . . . . ?
C2 Na3 N5 C18 129.75(16) . . . . ?
Cr2 Na3 N5 C18 -114.87(13) . . . . ?
Cr1 Na3 N5 C18 -56.06(13) . . . . ?
Na1 Na3 N5 C18 36.48(16) . . . . ?
N6 Na3 N5 C17 -10.71(12) . . . . ?
C3 Na3 N5 C17 174.63(13) . . . . ?
C4 Na3 N5 C17 95.87(13) . . . . ?
C1 Na3 N5 C17 -122.45(12) . . . . ?
C2 Na3 N5 C17 10.0(2) . . . . ?
Cr2 Na3 N5 C17 125.36(13) . . . . ?
Cr1 Na3 N5 C17 -175.82(10) . . . . ?
Na1 Na3 N5 C17 -83.28(15) . . . . ?
N5 Na3 N6 C10 -149.90(17) . . . . ?
C3 Na3 N6 C10 -134.7(2) . . . . ?
C4 Na3 N6 C10 102.11(17) . . . . ?
C1 Na3 N6 C10 -36.80(18) . . . . ?
C2 Na3 N6 C10 38.88(16) . . . . ?
Cr2 Na3 N6 C10 53.24(17) . . . . ?
Cr1 Na3 N6 C10 5.5(2) . . . . ?
Na1 Na3 N6 C10 -0.06(16) . . . . ?
N5 Na3 N6 C11 99.66(13) . . . . ?
C3 Na3 N6 C11 114.9(2) . . . . ?
C4 Na3 N6 C11 -8.33(15) . . . . ?
C1 Na3 N6 C11 -147.24(13) . . . . ?
C2 Na3 N6 C11 -71.57(13) . . . . ?
Cr2 Na3 N6 C11 -57.21(14) . . . . ?
Cr1 Na3 N6 C11 -104.99(15) . . . . ?
Na1 Na3 N6 C11 -110.50(12) . . . . ?
N5 Na3 N6 C12 -15.79(12) . . . . ?
C3 Na3 N6 C12 -0.6(3) . . . . ?
C4 Na3 N6 C12 -123.78(13) . . . . ?
C1 Na3 N6 C12 97.31(13) . . . . ?
C2 Na3 N6 C12 172.99(13) . . . . ?
Cr2 Na3 N6 C12 -172.65(10) . . . . ?
Cr1 Na3 N6 C12 139.56(12) . . . . ?
Na1 Na3 N6 C12 134.05(12) . . . . ?
C10 N6 C12 C13 -57.8(2) . . . . ?
C11 N6 C12 C13 64.1(2) . . . . ?
Na3 N6 C12 C13 165.27(13) . . . . ?
C10 N6 C12 C17 176.44(18) . . . . ?
C11 N6 C12 C17 -61.7(2) . . . . ?
Na3 N6 C12 C17 39.52(18) . . . . ?
N6 C12 C13 C14 178.90(16) . . . . ?
C17 C12 C13 C14 -54.7(2) . . . . ?
C12 C13 C14 C15 56.3(2) . . . . ?
C13 C14 C15 C16 -57.5(2) . . . . ?
C14 C15 C16 C17 59.0(2) . . . . ?
C19 N5 C17 C12 160.54(16) . . . . ?
C18 N5 C17 C12 -76.9(2) . . . . ?
Na3 N5 C17 C12 34.83(18) . . . . ?
C19 N5 C17 C16 -73.0(2) . . . . ?
C18 N5 C17 C16 49.5(2) . . . . ?
Na3 N5 C17 C16 161.32(13) . . . . ?
N6 C12 C17 N5 -48.6(2) . . . . ?
C13 C12 C17 N5 -176.90(15) . . . . ?
N6 C12 C17 C16 -177.35(16) . . . . ?
C13 C12 C17 C16 54.3(2) . . . . ?
C15 C16 C17 N5 175.29(17) . . . . ?
C15 C16 C17 C12 -57.5(2) . . . . ?
C5 Na2 N3 C20 137.91(15) . . . . ?
N4 Na2 N3 C20 -134.12(16) . . . . ?
C6 Na2 N3 C20 57.02(16) . . . . ?
C3 Na2 N3 C20 -96.3(2) . . . . ?
C4 Na2 N3 C20 -5.71(17) . . . . ?
Cr1 Na2 N3 C20 73.7(3) . . . . ?
Cr2 Na2 N3 C20 35.65(17) . . . . ?
C5 Na2 N3 C21 24.77(16) . . . . ?
N4 Na2 N3 C21 112.73(13) . . . . ?
C6 Na2 N3 C21 -56.12(13) . . . . ?
C3 Na2 N3 C21 150.51(16) . . . . ?
C4 Na2 N3 C21 -118.85(12) . . . . ?
Cr1 Na2 N3 C21 -39.5(3) . . . . ?
Cr2 Na2 N3 C21 -77.50(13) . . . . ?
C5 Na2 N3 C22 -94.71(16) . . . . ?
N4 Na2 N3 C22 -6.75(13) . . . . ?
C6 Na2 N3 C22 -175.60(14) . . . . ?
C3 Na2 N3 C22 31.0(2) . . . . ?
C4 Na2 N3 C22 121.67(14) . . . . ?
Cr1 Na2 N3 C22 -158.97(18) . . . . ?
Cr2 Na2 N3 C22 163.03(12) . . . . ?
N3 Na2 N4 C28 102.20(13) . . . . ?
C5 Na2 N4 C28 -128.83(13) . . . . ?
C6 Na2 N4 C28 135.3(2) . . . . ?
C3 Na2 N4 C28 -60.68(13) . . . . ?
C4 Na2 N4 C28 6.31(15) . . . . ?
Cr1 Na2 N4 C28 -86.20(13) . . . . ?
Cr2 Na2 N4 C28 -57.5(2) . . . . ?
N3 Na2 N4 C29 -141.33(15) . . . . ?
C5 Na2 N4 C29 -12.36(15) . . . . ?
C6 Na2 N4 C29 -108.2(2) . . . . ?
C3 Na2 N4 C29 55.79(14) . . . . ?
C4 Na2 N4 C29 122.78(14) . . . . ?
Cr1 Na2 N4 C29 30.28(15) . . . . ?
Cr2 Na2 N4 C29 59.0(2) . . . . ?
N3 Na2 N4 C27 -19.34(12) . . . . ?
C5 Na2 N4 C27 109.63(13) . . . . ?
C6 Na2 N4 C27 13.8(3) . . . . ?
C3 Na2 N4 C27 177.77(13) . . . . ?
C4 Na2 N4 C27 -115.24(13) . . . . ?
Cr1 Na2 N4 C27 152.26(11) . . . . ?
Cr2 Na2 N4 C27 -179.01(12) . . . . ?
C20 N3 C22 C27 159.26(17) . . . . ?
C21 N3 C22 C27 -77.3(2) . . . . ?
Na2 N3 C22 C27 31.7(2) . . . . ?
C20 N3 C22 C23 -75.8(2) . . . . ?
C21 N3 C22 C23 47.6(2) . . . . ?
Na2 N3 C22 C23 156.64(13) . . . . ?
N3 C22 C23 C24 175.52(17) . . . . ?
C27 C22 C23 C24 -57.7(2) . . . . ?
C22 C23 C24 C25 58.4(2) . . . . ?
C23 C24 C25 C26 -56.8(2) . . . . ?
C24 C25 C26 C27 57.7(2) . . . . ?
C28 N4 C27 C22 -72.3(2) . . . . ?
C29 N4 C27 C22 164.10(17) . . . . ?
Na2 N4 C27 C22 42.98(19) . . . . ?
C28 N4 C27 C26 52.5(2) . . . . ?
C29 N4 C27 C26 -71.0(2) . . . . ?
Na2 N4 C27 C26 167.84(13) . . . . ?
N3 C22 C27 N4 -50.5(2) . . . . ?
C23 C22 C27 N4 -177.55(16) . . . . ?
N3 C22 C27 C26 -177.76(16) . . . . ?
C23 C22 C27 C26 55.2(2) . . . . ?
C25 C26 C27 N4 176.80(17) . . . . ?
C25 C26 C27 C22 -57.0(2) . . . . ?
C1 Na1 N1 C30 120.32(17) . . . . ?
N2 Na1 N1 C30 -142.62(17) . . . . ?
C7 Na1 N1 C30 -58.8(2) . . . . ?
C2 Na1 N1 C30 24.67(17) . . . . ?
Cr1 Na1 N1 C30 80.3(2) . . . . ?
Cr2 Na1 N1 C30 20.9(2) . . . . ?
Na3 Na1 N1 C30 70.86(17) . . . . ?
C1 Na1 N1 C31 6.12(16) . . . . ?
N2 Na1 N1 C31 103.18(14) . . . . ?
C7 Na1 N1 C31 -173.04(18) . . . . ?
C2 Na1 N1 C31 -89.53(14) . . . . ?
Cr1 Na1 N1 C31 -33.9(2) . . . . ?
Cr2 Na1 N1 C31 -93.26(14) . . . . ?
Na3 Na1 N1 C31 -43.35(14) . . . . ?
C1 Na1 N1 C32 -112.71(15) . . . . ?
N2 Na1 N1 C32 -15.66(13) . . . . ?
C7 Na1 N1 C32 68.1(2) . . . . ?
C2 Na1 N1 C32 151.63(14) . . . . ?
Cr1 Na1 N1 C32 -152.72(14) . . . . ?
Cr2 Na1 N1 C32 147.90(11) . . . . ?
Na3 Na1 N1 C32 -162.18(12) . . . . ?
N1 Na1 N2 C39 108.44(12) . . . . ?
C1 Na1 N2 C39 -130.48(12) . . . . ?
C7 Na1 N2 C39 -43.15(13) . . . . ?
C2 Na1 N2 C39 56.6(3) . . . . ?
Cr1 Na1 N2 C39 -87.54(12) . . . . ?
Cr2 Na1 N2 C39 -51.91(16) . . . . ?
Na3 Na1 N2 C39 -151.53(11) . . . . ?
N1 Na1 N2 C38 -137.54(14) . . . . ?
C1 Na1 N2 C38 -16.47(15) . . . . ?
C7 Na1 N2 C38 70.87(15) . . . . ?
C2 Na1 N2 C38 170.6(2) . . . . ?
Cr1 Na1 N2 C38 26.47(15) . . . . ?
Cr2 Na1 N2 C38 62.10(17) . . . . ?
Na3 Na1 N2 C38 -37.52(18) . . . . ?
N1 Na1 N2 C37 -10.70(12) . . . . ?
C1 Na1 N2 C37 110.37(13) . . . . ?
C7 Na1 N2 C37 -162.29(13) . . . . ?
C2 Na1 N2 C37 -62.5(3) . . . . ?
Cr1 Na1 N2 C37 153.32(11) . . . . ?
Cr2 Na1 N2 C37 -171.05(10) . . . . ?
Na3 Na1 N2 C37 89.33(15) . . . . ?
C30 N1 C32 C37 166.60(17) . . . . ?
C31 N1 C32 C37 -68.7(2) . . . . ?
Na1 N1 C32 C37 39.77(19) . . . . ?
C30 N1 C32 C33 -68.4(2) . . . . ?
C31 N1 C32 C33 56.3(2) . . . . ?
Na1 N1 C32 C33 164.76(14) . . . . ?
N1 C32 C33 C34 176.00(18) . . . . ?
C37 C32 C33 C34 -57.7(2) . . . . ?
C32 C33 C34 C35 59.5(2) . . . . ?
C33 C34 C35 C36 -58.9(3) . . . . ?
C34 C35 C36 C37 58.5(3) . . . . ?
C39 N2 C37 C32 -75.9(2) . . . . ?
C38 N2 C37 C32 161.22(18) . . . . ?
Na1 N2 C37 C32 34.66(19) . . . . ?
C39 N2 C37 C36 49.2(2) . . . . ?
C38 N2 C37 C36 -73.7(2) . . . . ?
Na1 N2 C37 C36 159.71(14) . . . . ?
N1 C32 C37 N2 -49.2(2) . . . . ?
C33 C32 C37 N2 -176.79(17) . . . . ?
N1 C32 C37 C36 -176.38(16) . . . . ?
C33 C32 C37 C36 56.1(2) . . . . ?
C35 C36 C37 N2 176.58(18) . . . . ?
C35 C36 C37 C32 -57.7(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.922
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.391
_refine_diff_density_min         -0.187
_refine_diff_density_rms         0.039

#===END

_chemical_properties_physical    
', Air-sensitive,Moisture-sensitive,Oxygen-sensitive'
