#------------------------------------------------------------------------------
#$Date: 2020-06-05 14:02:08 +0300 (Fri, 05 Jun 2020) $
#$Revision: 252840 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/41/7704127.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7704127
loop_
_publ_author_name
'Su, Jing'
'Yin, Lei'
'Ouyang, Zhongwen'
'Wang, Zhenxing'
'Zheng, Wenjun'
_publ_section_title
;
 1,2-Diaza-4-phospholide complexes of chromium(ii): dipotassium
 organochromates behaving as single-molecule magnets.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6945
_journal_page_last               6949
_journal_paper_doi               10.1039/d0dt00878h
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         '0.5(C144 H144 Cr2 K4 N16 O8 P8)'
_chemical_formula_sum            'C72 H72 Cr K2 N8 O4 P4'
_chemical_formula_weight         1367.46
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
_audit_creation_date             2018-05-27
_audit_creation_method
;
  Olex2 1.2
  (compiled Apr 23 2013 17:54:37, GUI svn.r4466)
;
_audit_update_record
;
2018-06-11 deposited with the CCDC.	2020-04-17 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 101.428(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.1285(18)
_cell_length_b                   16.1863(11)
_cell_length_c                   18.8547(10)
_cell_measurement_reflns_used    3913
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.1560
_cell_measurement_theta_min      3.2720
_cell_volume                     7217.7(8)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution
;
olex2.solve (L.J. Bourhis, O.V. Dolomanov, R.J. Gildea, J.A.K. Howard,
H. Puschmann, in preparation, 2011)
;
_diffrn_ambient_temperature      298(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0251
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.9976
_diffrn_measured_fraction_theta_max 0.8656
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   35.00   88.00   1.0000   57.8050
omega____ theta____ kappa____ phi______ frames
    -       15.5265  178.0000   30.0000 53

#__ type_ start__ end____ width___ exp.time_
  2 omega  -25.00   22.00   1.0000   57.8050
omega____ theta____ kappa____ phi______ frames
    -      -17.0890  -99.0000 -150.0000 47

#__ type_ start__ end____ width___ exp.time_
  3 omega  -84.00    0.00   1.0000   57.8050
omega____ theta____ kappa____ phi______ frames
    -      -17.0890  -57.0000   30.0000 84

#__ type_ start__ end____ width___ exp.time_
  4 omega  -88.00   12.00   1.0000   57.8050
omega____ theta____ kappa____ phi______ frames
    -      -17.0890  -19.0000   90.0000 100

#__ type_ start__ end____ width___ exp.time_
  5 omega  -52.00  -27.00   1.0000   57.8050
omega____ theta____ kappa____ phi______ frames
    -       15.5265  -77.0000  150.0000 25
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0215296000
_diffrn_orient_matrix_UB_12      -0.0142338000
_diffrn_orient_matrix_UB_13      -0.0286476000
_diffrn_orient_matrix_UB_21      -0.0202012000
_diffrn_orient_matrix_UB_22      0.0043609000
_diffrn_orient_matrix_UB_23      0.0224177000
_diffrn_orient_matrix_UB_31      -0.0052879000
_diffrn_orient_matrix_UB_32      0.0412193000
_diffrn_orient_matrix_UB_33      -0.0122402000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0788
_diffrn_reflns_av_unetI/netI     0.1074
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            20006
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.05
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 1.0000
_diffrn_standards_interval_time  57.8050
_diffrn_standards_number         23877
_exptl_absorpt_coefficient_mu    0.415
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.25119
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.258
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2856
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.760
_refine_diff_density_min         -0.435
_refine_diff_density_rms         0.066
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.982
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     411
_refine_ls_number_reflns         6602
_refine_ls_number_restraints     37
_refine_ls_restrained_S_all      0.997
_refine_ls_R_factor_all          0.1513
_refine_ls_R_factor_gt           0.0776
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1176P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1955
_refine_ls_wR_factor_ref         0.2488
_reflns_number_gt                3102
_reflns_number_total             6602
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d0dt00878h2.cif
_cod_data_source_block           exp_294
_cod_depositor_comments
'Adding full bibliography for 7704126--7704127.cif.'
_cod_database_code               7704127
_reflns_odcompleteness_completeness 99.76
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 C34-C35
 1.5 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
C33 \\sim C34 \\sim C35 \\sim C36: within 1.7A with sigma of 0.005 and sigma for terminal atoms of 0.005
C29 \\sim C30 \\sim C31 \\sim C32: within 1.7A with sigma of 0.005 and sigma for terminal atoms of 0.005
4.a Secondary CH2 refined with riding coordinates:
 C29(H29A,H29B), C30(H30A,H30B), C31(H31A,H31B), C32(H32A,H32B), C33(H33A,
 H33B), C34(H34A,H34B), C35(H35A,H35B), C36(H36A,H36B)
4.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C5(H5), C10(H10), C11(H11), C12(H12),
 C13(H13), C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C19(H19), C24(H24),
  C25(H25), C26(H26), C27(H27), C28(H28)
;
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y, -z+1/2'
3 'x+1/2, y+1/2, z'
4 '-x+1/2, y+1/2, -z+1/2'
5 '-x, -y, -z'
6 'x, -y, z-1/2'
7 '-x+1/2, -y+1/2, -z'
8 'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.9058(3) 0.4392(4) 0.6993(4) 0.096(2) Uani 1 1 d . . .
H1 H 0.9306 0.4837 0.7045 0.115 Uiso 1 1 calc R . .
C2 C 0.8536(4) 0.4485(5) 0.7185(4) 0.115(2) Uani 1 1 d . . .
H2 H 0.8441 0.4983 0.7378 0.138 Uiso 1 1 calc R . .
C3 C 0.8163(3) 0.3848(6) 0.7091(4) 0.113(3) Uani 1 1 d . . .
H3 H 0.7810 0.3909 0.7213 0.136 Uiso 1 1 calc R . .
C4 C 0.8308(3) 0.3120(5) 0.6818(4) 0.103(2) Uani 1 1 d . . .
H4 H 0.8051 0.2685 0.6753 0.123 Uiso 1 1 calc R . .
C5 C 0.8832(3) 0.3015(4) 0.6636(3) 0.0825(18) Uani 1 1 d . . .
H5 H 0.8923 0.2512 0.6450 0.099 Uiso 1 1 calc R . .
C6 C 0.9220(2) 0.3648(3) 0.6725(3) 0.0656(14) Uani 1 1 d . . .
C7 C 0.9774(2) 0.3539(3) 0.6536(3) 0.0623(13) Uani 1 1 d . . .
C8 C 1.0667(2) 0.3495(3) 0.6162(3) 0.0625(13) Uani 1 1 d . . .
C9 C 1.1199(3) 0.3579(4) 0.5916(3) 0.0757(16) Uani 1 1 d . . .
C10 C 1.1310(3) 0.4222(4) 0.5474(4) 0.108(2) Uani 1 1 d . . .
H10 H 1.1031 0.4618 0.5324 0.130 Uiso 1 1 calc R . .
C11 C 1.1808(5) 0.4290(6) 0.5256(6) 0.144(4) Uani 1 1 d . . .
H11 H 1.1862 0.4726 0.4957 0.172 Uiso 1 1 calc R . .
C12 C 1.2226(4) 0.3745(7) 0.5461(5) 0.138(4) Uani 1 1 d . . .
H12 H 1.2571 0.3823 0.5321 0.166 Uiso 1 1 calc R . .
C13 C 1.2151(3) 0.3075(6) 0.5874(5) 0.130(3) Uani 1 1 d . . .
H13 H 1.2429 0.2673 0.5992 0.156 Uiso 1 1 calc R . .
C14 C 1.1634(3) 0.3017(5) 0.6112(4) 0.106(2) Uani 1 1 d . . .
H14 H 1.1584 0.2582 0.6414 0.127 Uiso 1 1 calc R . .
C15 C 1.1194(2) 0.0923(3) 0.7268(3) 0.0657(14) Uani 1 1 d . . .
H15 H 1.1075 0.1445 0.7097 0.079 Uiso 1 1 calc R . .
C16 C 1.1731(3) 0.0825(4) 0.7670(3) 0.0838(17) Uani 1 1 d . . .
H16 H 1.1969 0.1281 0.7763 0.101 Uiso 1 1 calc R . .
C17 C 1.1922(3) 0.0062(5) 0.7935(3) 0.094(2) Uani 1 1 d . . .
H17 H 1.2287 -0.0004 0.8201 0.112 Uiso 1 1 calc R . .
C18 C 1.1558(3) -0.0600(4) 0.7796(4) 0.095(2) Uani 1 1 d . . .
H18 H 1.1677 -0.1118 0.7979 0.115 Uiso 1 1 calc R . .
C19 C 1.1018(3) -0.0506(4) 0.7387(3) 0.0819(17) Uani 1 1 d . . .
H19 H 1.0779 -0.0961 0.7294 0.098 Uiso 1 1 calc R . .
C20 C 1.0830(2) 0.0268(3) 0.7115(2) 0.0554(12) Uani 1 1 d . . .
C21 C 1.0258(2) 0.0358(3) 0.6661(2) 0.0518(12) Uani 1 1 d . . .
C22 C 0.9362(2) 0.0373(3) 0.5845(2) 0.0555(12) Uani 1 1 d . . .
C23 C 0.8825(2) 0.0313(3) 0.5312(3) 0.0616(13) Uani 1 1 d . . .
C24 C 0.8389(3) 0.0843(4) 0.5320(3) 0.0845(18) Uani 1 1 d . . .
H24 H 0.8426 0.1253 0.5672 0.101 Uiso 1 1 calc R . .
C25 C 0.7888(3) 0.0783(5) 0.4810(4) 0.107(2) Uani 1 1 d . . .
H25 H 0.7593 0.1150 0.4820 0.129 Uiso 1 1 calc R . .
C26 C 0.7831(3) 0.0176(6) 0.4289(4) 0.113(3) Uani 1 1 d . . .
H26 H 0.7497 0.0131 0.3947 0.135 Uiso 1 1 calc R . .
C27 C 0.8256(3) -0.0349(6) 0.4275(3) 0.117(3) Uani 1 1 d . . .
H27 H 0.8215 -0.0757 0.3921 0.140 Uiso 1 1 calc R . .
C28 C 0.8766(3) -0.0295(5) 0.4788(3) 0.098(2) Uani 1 1 d . . .
H28 H 0.9059 -0.0663 0.4773 0.117 Uiso 1 1 calc R . .
C29 C 0.8734(5) 0.3371(7) 0.4508(6) 0.210(4) Uani 1 1 d U . .
H29A H 0.8998 0.3829 0.4575 0.252 Uiso 1 1 calc R . .
H29B H 0.8559 0.3339 0.4928 0.252 Uiso 1 1 calc R . .
C30 C 0.8318(5) 0.3496(7) 0.3881(6) 0.215(3) Uani 1 1 d U . .
H30A H 0.8407 0.3980 0.3622 0.257 Uiso 1 1 calc R . .
H30B H 0.7951 0.3578 0.4008 0.257 Uiso 1 1 calc R . .
C31 C 0.8308(5) 0.2787(7) 0.3446(6) 0.201(3) Uani 1 1 d U . .
H31A H 0.8383 0.2936 0.2976 0.242 Uiso 1 1 calc R . .
H31B H 0.7941 0.2522 0.3377 0.242 Uiso 1 1 calc R . .
C32 C 0.8735(5) 0.2246(7) 0.3812(6) 0.188(3) Uani 1 1 d U . .
H32A H 0.8567 0.1737 0.3940 0.225 Uiso 1 1 calc R . .
H32B H 0.9000 0.2113 0.3503 0.225 Uiso 1 1 calc R . .
C33 C 1.0318(5) 0.3165(8) 0.3842(7) 0.201(3) Uani 1 1 d U . .
H33A H 1.0294 0.3667 0.4115 0.241 Uiso 1 1 calc R . .
H33B H 0.9940 0.3021 0.3589 0.241 Uiso 1 1 calc R . .
C34 C 1.0678(5) 0.3296(8) 0.3330(6) 0.202(3) Uani 1 1 d DU . .
H34A H 1.0484 0.3133 0.2850 0.243 Uiso 1 1 calc R . .
H34B H 1.0776 0.3877 0.3317 0.243 Uiso 1 1 calc R . .
C35 C 1.1181(5) 0.2811(7) 0.3548(6) 0.188(3) Uani 1 1 d DU . .
H35A H 1.1507 0.3159 0.3721 0.225 Uiso 1 1 calc R . .
H35B H 1.1255 0.2474 0.3151 0.225 Uiso 1 1 calc R . .
C36 C 1.1048(4) 0.2304(6) 0.4124(6) 0.172(3) Uani 1 1 d U . .
H36A H 1.1024 0.1729 0.3976 0.207 Uiso 1 1 calc R . .
H36B H 1.1346 0.2354 0.4551 0.207 Uiso 1 1 calc R . .
Cr1 Cr 1.0000 0.19508(6) 0.7500 0.0468(3) Uani 1 2 d S . .
K1 K 0.99405(6) 0.19961(7) 0.52516(6) 0.0761(4) Uani 1 1 d . . .
N1 N 1.00744(17) 0.2855(2) 0.6744(2) 0.0552(10) Uani 1 1 d . . .
N2 N 1.05772(17) 0.2818(2) 0.6529(2) 0.0585(10) Uani 1 1 d . . .
N3 N 0.99565(15) 0.1044(2) 0.67179(19) 0.0513(9) Uani 1 1 d . . .
N4 N 0.94456(16) 0.1056(2) 0.6256(2) 0.0536(10) Uani 1 1 d . . .
O1 O 1.0534(2) 0.2552(3) 0.4291(3) 0.1202(16) Uani 1 1 d . . .
O2 O 0.9013(2) 0.2652(3) 0.4434(3) 0.1214(16) Uani 1 1 d . . .
P1 P 1.01141(7) 0.42271(9) 0.60454(9) 0.0820(5) Uani 1 1 d . . .
P2 P 0.99230(6) -0.03329(9) 0.60078(8) 0.0691(5) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 H1 119.2 . . ?
C2 C1 C6 121.6(7) . . ?
C6 C1 H1 119.2 . . ?
C1 C2 H2 120.1 . . ?
C3 C2 C1 119.7(8) . . ?
C3 C2 H2 120.1 . . ?
C2 C3 H3 120.2 . . ?
C2 C3 C4 119.7(7) . . ?
C4 C3 H3 120.2 . . ?
C3 C4 H4 119.5 . . ?
C3 C4 C5 121.1(7) . . ?
C5 C4 H4 119.5 . . ?
C4 C5 H5 119.6 . . ?
C6 C5 C4 120.8(6) . . ?
C6 C5 H5 119.6 . . ?
C1 C6 C7 121.9(5) . . ?
C5 C6 C1 117.1(6) . . ?
C5 C6 C7 121.0(5) . . ?
C6 C7 P1 126.9(4) . . ?
N1 C7 C6 119.8(4) . . ?
N1 C7 P1 113.4(4) . . ?
C9 C8 K1 108.5(3) . . ?
C9 C8 P1 126.3(4) . . ?
N2 C8 C9 119.0(5) . . ?
N2 C8 K1 62.5(2) . . ?
N2 C8 P1 114.7(4) . . ?
P1 C8 K1 96.8(2) . . ?
C10 C9 C8 123.0(6) . . ?
C14 C9 C8 121.8(6) . . ?
C14 C9 C10 115.2(6) . . ?
C9 C10 H10 119.0 . . ?
C11 C10 C9 122.0(8) . . ?
C11 C10 H10 119.0 . . ?
C10 C11 H11 119.2 . . ?
C12 C11 C10 121.7(9) . . ?
C12 C11 H11 119.2 . . ?
C11 C12 H12 119.7 . . ?
C11 C12 C13 120.7(9) . . ?
C13 C12 H12 119.7 . . ?
C12 C13 H13 121.3 . . ?
C12 C13 C14 117.3(8) . . ?
C14 C13 H13 121.3 . . ?
C9 C14 C13 123.0(7) . . ?
C9 C14 H14 118.5 . . ?
C13 C14 H14 118.5 . . ?
C16 C15 H15 119.3 . . ?
C20 C15 H15 119.3 . . ?
C20 C15 C16 121.5(5) . . ?
C15 C16 H16 119.5 . . ?
C15 C16 C17 120.9(6) . . ?
C17 C16 H16 119.5 . . ?
C16 C17 H17 120.8 . . ?
C16 C17 C18 118.3(6) . . ?
C18 C17 H17 120.8 . . ?
C17 C18 H18 119.5 . . ?
C17 C18 C19 120.9(6) . . ?
C19 C18 H18 119.5 . . ?
C18 C19 H19 119.9 . . ?
C18 C19 C20 120.3(6) . . ?
C20 C19 H19 119.9 . . ?
C15 C20 C19 118.0(5) . . ?
C15 C20 C21 122.1(4) . . ?
C19 C20 C21 119.9(5) . . ?
C20 C21 P2 126.5(3) . . ?
N3 C21 C20 119.6(4) . . ?
N3 C21 P2 113.8(3) . . ?
C23 C22 K1 101.3(3) . . ?
C23 C22 P2 128.3(4) . . ?
N4 C22 C23 117.3(4) . . ?
N4 C22 K1 60.7(2) . . ?
N4 C22 P2 114.4(3) . . ?
P2 C22 K1 102.47(19) . . ?
C24 C23 C22 121.9(5) . . ?
C24 C23 C28 119.0(5) . . ?
C28 C23 C22 119.1(5) . . ?
C23 C24 H24 119.4 . . ?
C23 C24 C25 121.1(6) . . ?
C25 C24 H24 119.4 . . ?
C24 C25 H25 120.2 . . ?
C26 C25 C24 119.5(7) . . ?
C26 C25 H25 120.2 . . ?
C25 C26 H26 120.0 . . ?
C27 C26 C25 120.0(6) . . ?
C27 C26 H26 120.0 . . ?
C26 C27 H27 119.4 . . ?
C26 C27 C28 121.1(7) . . ?
C28 C27 H27 119.4 . . ?
C23 C28 C27 119.2(6) . . ?
C23 C28 H28 120.4 . . ?
C27 C28 H28 120.4 . . ?
H29A C29 H29B 108.3 . . ?
C30 C29 H29A 109.9 . . ?
C30 C29 H29B 109.9 . . ?
O2 C29 H29A 109.9 . . ?
O2 C29 H29B 109.9 . . ?
O2 C29 C30 108.7(9) . . ?
C29 C30 H30A 110.2 . . ?
C29 C30 H30B 110.2 . . ?
C29 C30 C31 107.4(10) . . ?
H30A C30 H30B 108.5 . . ?
C31 C30 H30A 110.2 . . ?
C31 C30 H30B 110.2 . . ?
C30 C31 H31A 110.3 . . ?
C30 C31 H31B 110.3 . . ?
C30 C31 C32 107.0(9) . . ?
H31A C31 H31B 108.6 . . ?
C32 C31 H31A 110.3 . . ?
C32 C31 H31B 110.3 . . ?
C31 C32 H32A 110.2 . . ?
C31 C32 H32B 110.2 . . ?
H32A C32 H32B 108.5 . . ?
O2 C32 C31 107.4(8) . . ?
O2 C32 H32A 110.2 . . ?
O2 C32 H32B 110.2 . . ?
H33A C33 H33B 108.3 . . ?
C34 C33 H33A 109.9 . . ?
C34 C33 H33B 109.9 . . ?
O1 C33 H33A 109.9 . . ?
O1 C33 H33B 109.9 . . ?
O1 C33 C34 108.8(9) . . ?
C33 C34 H34A 110.0 . . ?
C33 C34 H34B 110.0 . . ?
H34A C34 H34B 108.4 . . ?
C35 C34 C33 108.5(9) . . ?
C35 C34 H34A 110.0 . . ?
C35 C34 H34B 110.0 . . ?
C34 C35 H35A 111.2 . . ?
C34 C35 H35B 111.2 . . ?
C34 C35 C36 103.0(9) . . ?
H35A C35 H35B 109.1 . . ?
C36 C35 H35A 111.2 . . ?
C36 C35 H35B 111.2 . . ?
C35 C36 H36A 109.6 . . ?
C35 C36 H36B 109.6 . . ?
H36A C36 H36B 108.1 . . ?
O1 C36 C35 110.1(8) . . ?
O1 C36 H36A 109.6 . . ?
O1 C36 H36B 109.6 . . ?
N1 Cr1 N1 90.3(2) . 2_756 ?
N3 Cr1 N1 90.57(15) . . ?
N3 Cr1 N1 172.28(15) 2_756 . ?
N3 Cr1 N1 172.28(15) . 2_756 ?
N3 Cr1 N1 90.57(15) 2_756 2_756 ?
N3 Cr1 N3 89.6(2) . 2_756 ?
C8 K1 C22 129.51(13) . . ?
C8 K1 P2 141.29(10) . 5_756 ?
C22 K1 P2 74.32(9) . 5_756 ?
N1 K1 C8 40.76(11) . . ?
N1 K1 C22 91.40(11) . . ?
N1 K1 N3 56.14(10) . . ?
N1 K1 P2 156.34(8) . 5_756 ?
N2 K1 C8 24.05(11) . . ?
N2 K1 C22 105.98(12) . . ?
N2 K1 N1 25.82(10) . . ?
N2 K1 N3 65.55(10) . . ?
N2 K1 P2 140.85(9) . 5_756 ?
N3 K1 C8 89.47(11) . . ?
N3 K1 C22 40.68(10) . . ?
N3 K1 P2 102.86(8) . 5_756 ?
N4 K1 C8 107.28(12) . . ?
N4 K1 C22 24.11(11) . . ?
N4 K1 N1 67.67(11) . . ?
N4 K1 N2 85.22(12) . . ?
N4 K1 N3 25.52(9) . . ?
N4 K1 P2 98.13(9) . 5_756 ?
O1 K1 C8 78.63(14) . . ?
O1 K1 C22 145.30(15) . . ?
O1 K1 N1 119.37(13) . . ?
O1 K1 N2 98.10(14) . . ?
O1 K1 N3 147.22(16) . . ?
O1 K1 N4 166.80(15) . . ?
O1 K1 P2 71.23(11) . 5_756 ?
O2 K1 C8 107.96(15) . . ?
O2 K1 C22 98.65(15) . . ?
O2 K1 N1 105.71(14) . . ?
O2 K1 N2 122.71(14) . . ?
O2 K1 N3 124.20(15) . . ?
O2 K1 N4 100.42(15) . . ?
O2 K1 O1 88.57(19) . . ?
O2 K1 P2 95.20(12) . 5_756 ?
C7 N1 Cr1 132.0(4) . . ?
C7 N1 K1 98.7(3) . . ?
C7 N1 N2 114.4(4) . . ?
Cr1 N1 K1 107.46(14) . . ?
N2 N1 Cr1 112.3(3) . . ?
N2 N1 K1 69.3(2) . . ?
C8 N2 K1 93.4(3) . . ?
C8 N2 N1 111.5(4) . . ?
N1 N2 K1 84.9(2) . . ?
C21 N3 Cr1 133.7(3) . . ?
C21 N3 K1 104.3(3) . . ?
C21 N3 N4 113.4(4) . . ?
Cr1 N3 K1 105.52(13) . . ?
N4 N3 Cr1 110.9(3) . . ?
N4 N3 K1 65.2(2) . . ?
C22 N4 K1 95.2(3) . . ?
C22 N4 N3 111.8(4) . . ?
N3 N4 K1 89.3(2) . . ?
C33 O1 C36 108.7(7) . . ?
C33 O1 K1 118.9(6) . . ?
C36 O1 K1 132.3(5) . . ?
C29 O2 C32 108.8(7) . . ?
C29 O2 K1 130.7(5) . . ?
C32 O2 K1 120.4(5) . . ?
C7 P1 C8 86.0(2) . . ?
C21 P2 C22 86.5(2) . . ?
C21 P2 K1 147.80(17) . 5_756 ?
C22 P2 K1 122.24(17) . 5_756 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 H1 0.9300 . ?
C1 C2 1.386(9) . ?
C1 C6 1.392(8) . ?
C2 H2 0.9300 . ?
C2 C3 1.356(10) . ?
C3 H3 0.9300 . ?
C3 C4 1.360(10) . ?
C4 H4 0.9300 . ?
C4 C5 1.385(9) . ?
C5 H5 0.9300 . ?
C5 C6 1.374(7) . ?
C6 C7 1.460(7) . ?
C7 N1 1.340(6) . ?
C7 P1 1.752(5) . ?
C8 C9 1.455(7) . ?
C8 K1 3.273(5) . ?
C8 N2 1.337(6) . ?
C8 P1 1.765(5) . ?
C9 C10 1.393(8) . ?
C9 C14 1.381(9) . ?
C10 H10 0.9300 . ?
C10 C11 1.349(10) . ?
C11 H11 0.9300 . ?
C11 C12 1.337(12) . ?
C12 H12 0.9300 . ?
C12 C13 1.367(11) . ?
C13 H13 0.9300 . ?
C13 C14 1.408(10) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C15 C16 1.375(7) . ?
C15 C20 1.370(7) . ?
C16 H16 0.9300 . ?
C16 C17 1.376(8) . ?
C17 H17 0.9300 . ?
C17 C18 1.377(8) . ?
C18 H18 0.9300 . ?
C18 C19 1.385(8) . ?
C19 H19 0.9300 . ?
C19 C20 1.396(7) . ?
C20 C21 1.480(6) . ?
C21 N3 1.343(5) . ?
C21 P2 1.740(5) . ?
C22 C23 1.475(7) . ?
C22 K1 3.275(5) . ?
C22 N4 1.343(6) . ?
C22 P2 1.752(5) . ?
C23 C24 1.361(7) . ?
C23 C28 1.382(7) . ?
C24 H24 0.9300 . ?
C24 C25 1.391(8) . ?
C25 H25 0.9300 . ?
C25 C26 1.377(10) . ?
C26 H26 0.9300 . ?
C26 C27 1.335(10) . ?
C27 H27 0.9300 . ?
C27 C28 1.409(8) . ?
C28 H28 0.9300 . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C29 C30 1.406(12) . ?
C29 O2 1.365(10) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C30 C31 1.406(12) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C31 C32 1.423(11) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C32 O2 1.393(9) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C33 C34 1.436(12) . ?
C33 O1 1.341(10) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C34 C35 1.434(8) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C35 C36 1.448(11) . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C36 O1 1.398(9) . ?
Cr1 N1 2.075(4) 2_756 ?
Cr1 N1 2.075(4) . ?
Cr1 N3 2.069(4) 2_756 ?
Cr1 N3 2.069(4) . ?
K1 N1 3.098(4) . ?
K1 N2 2.909(4) . ?
K1 N3 3.159(4) . ?
K1 N4 2.868(4) . ?
K1 O1 2.677(5) . ?
K1 O2 2.673(5) . ?
K1 P2 3.6476(18) 5_756 ?
N1 N2 1.355(5) . ?
N3 N4 1.361(5) . ?
P2 K1 3.6476(18) 5_756 ?
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
C1 C2 C3 C4 0.9(12) . . . . ?
C1 C6 C7 N1 135.1(5) . . . . ?
C1 C6 C7 P1 -45.0(7) . . . . ?
C2 C1 C6 C5 2.1(9) . . . . ?
C2 C1 C6 C7 -178.7(6) . . . . ?
C2 C3 C4 C5 0.2(12) . . . . ?
C3 C4 C5 C6 -0.1(10) . . . . ?
C4 C5 C6 C1 -1.0(9) . . . . ?
C4 C5 C6 C7 179.8(5) . . . . ?
C5 C6 C7 N1 -45.8(7) . . . . ?
C5 C6 C7 P1 134.2(5) . . . . ?
C6 C1 C2 C3 -2.1(11) . . . . ?
C6 C7 N1 Cr1 -15.2(7) . . . . ?
C6 C7 N1 K1 107.9(4) . . . . ?
C6 C7 N1 N2 179.1(4) . . . . ?
C6 C7 P1 C8 -179.8(5) . . . . ?
C7 N1 N2 C8 1.3(6) . . . . ?
C7 N1 N2 K1 -90.4(4) . . . . ?
C8 C9 C10 C11 179.6(7) . . . . ?
C8 C9 C14 C13 179.0(6) . . . . ?
C8 K1 N1 C7 77.3(3) . . . . ?
C8 K1 N1 Cr1 -143.4(3) . . . . ?
C8 K1 N1 N2 -35.6(2) . . . . ?
C8 K1 N2 N1 111.3(4) . . . . ?
C8 K1 N3 C21 -115.3(3) . . . . ?
C8 K1 N3 Cr1 28.89(16) . . . . ?
C8 K1 N3 N4 135.2(2) . . . . ?
C8 K1 N4 C22 -159.4(3) . . . . ?
C8 K1 N4 N3 -47.6(3) . . . . ?
C8 K1 O1 C33 -88.5(8) . . . . ?
C8 K1 O1 C36 94.4(8) . . . . ?
C8 K1 O2 C29 -23.0(10) . . . . ?
C8 K1 O2 C32 156.5(7) . . . . ?
C9 C8 K1 C22 127.4(4) . . . . ?
C9 C8 K1 N1 152.1(5) . . . . ?
C9 C8 K1 N2 113.7(5) . . . . ?
C9 C8 K1 N3 119.5(4) . . . . ?
C9 C8 K1 N4 138.1(4) . . . . ?
C9 C8 K1 O1 -29.7(4) . . . . ?
C9 C8 K1 O2 -114.4(4) . . . . ?
C9 C8 K1 P2 9.4(5) . . . 5_756 ?
C9 C8 N2 K1 -96.9(4) . . . . ?
C9 C8 N2 N1 177.2(4) . . . . ?
C9 C8 P1 C7 -177.7(5) . . . . ?
C9 C10 C11 C12 -0.7(14) . . . . ?
C10 C9 C14 C13 -1.2(10) . . . . ?
C10 C11 C12 C13 3.1(16) . . . . ?
C11 C12 C13 C14 -4.3(14) . . . . ?
C12 C13 C14 C9 3.4(12) . . . . ?
C14 C9 C10 C11 -0.2(10) . . . . ?
C15 C16 C17 C18 -0.8(9) . . . . ?
C15 C20 C21 N3 -37.6(7) . . . . ?
C15 C20 C21 P2 139.6(4) . . . . ?
C16 C15 C20 C19 0.9(8) . . . . ?
C16 C15 C20 C21 -177.7(5) . . . . ?
C16 C17 C18 C19 1.3(10) . . . . ?
C17 C18 C19 C20 -0.7(10) . . . . ?
C18 C19 C20 C15 -0.4(8) . . . . ?
C18 C19 C20 C21 178.2(5) . . . . ?
C19 C20 C21 N3 143.8(5) . . . . ?
C19 C20 C21 P2 -39.0(6) . . . . ?
C20 C15 C16 C17 -0.3(9) . . . . ?
C20 C21 N3 Cr1 -19.4(7) . . . . ?
C20 C21 N3 K1 109.4(4) . . . . ?
C20 C21 N3 N4 178.2(4) . . . . ?
C20 C21 P2 C22 -178.0(4) . . . . ?
C20 C21 P2 K1 -22.9(6) . . . 5_756 ?
C21 N3 N4 C22 -0.3(5) . . . . ?
C21 N3 N4 K1 -95.5(3) . . . . ?
C22 C23 C24 C25 179.4(5) . . . . ?
C22 C23 C28 C27 -179.5(6) . . . . ?
C22 K1 N1 C7 -121.6(3) . . . . ?
C22 K1 N1 Cr1 17.70(17) . . . . ?
C22 K1 N1 N2 125.6(2) . . . . ?
C22 K1 N2 C8 -169.1(3) . . . . ?
C22 K1 N2 N1 -57.8(3) . . . . ?
C22 K1 N3 C21 74.0(3) . . . . ?
C22 K1 N3 Cr1 -141.8(2) . . . . ?
C22 K1 N3 N4 -35.6(2) . . . . ?
C22 K1 N4 N3 111.8(4) . . . . ?
C22 K1 O1 C33 123.3(8) . . . . ?
C22 K1 O1 C36 -53.7(9) . . . . ?
C22 K1 O2 C29 113.5(10) . . . . ?
C22 K1 O2 C32 -67.0(7) . . . . ?
C23 C22 K1 C8 140.9(3) . . . . ?
C23 C22 K1 N1 125.0(3) . . . . ?
C23 C22 K1 N2 146.6(3) . . . . ?
C23 C22 K1 N3 152.9(4) . . . . ?
C23 C22 K1 N4 115.1(5) . . . . ?
C23 C22 K1 O1 -81.2(4) . . . . ?
C23 C22 K1 O2 18.9(3) . . . . ?
C23 C22 K1 P2 -74.1(3) . . . 5_756 ?
C23 C22 N4 K1 -87.9(4) . . . . ?
C23 C22 N4 N3 -179.2(4) . . . . ?
C23 C22 P2 C21 179.3(4) . . . . ?
C23 C22 P2 K1 14.7(5) . . . 5_756 ?
C23 C24 C25 C26 0.2(10) . . . . ?
C24 C23 C28 C27 0.0(9) . . . . ?
C24 C25 C26 C27 -0.2(11) . . . . ?
C25 C26 C27 C28 0.1(12) . . . . ?
C26 C27 C28 C23 0.0(11) . . . . ?
C28 C23 C24 C25 -0.1(9) . . . . ?
C29 C30 C31 C32 -1.6(17) . . . . ?
C30 C29 O2 C32 -8.1(16) . . . . ?
C30 C29 O2 K1 171.5(8) . . . . ?
C30 C31 C32 O2 -3.2(16) . . . . ?
C31 C32 O2 C29 7.0(15) . . . . ?
C31 C32 O2 K1 -172.6(8) . . . . ?
C33 C34 C35 C36 9.1(15) . . . . ?
C34 C33 O1 C36 3.8(14) . . . . ?
C34 C33 O1 K1 -173.9(8) . . . . ?
C34 C35 C36 O1 -7.0(13) . . . . ?
C35 C36 O1 C33 2.2(13) . . . . ?
C35 C36 O1 K1 179.4(6) . . . . ?
Cr1 N1 N2 C8 -167.3(3) . . . . ?
Cr1 N1 N2 K1 101.0(2) . . . . ?
Cr1 N3 N4 C22 -166.7(3) . . . . ?
Cr1 N3 N4 K1 97.99(19) . . . . ?
K1 C8 C9 C10 105.6(6) . . . . ?
K1 C8 C9 C14 -74.5(6) . . . . ?
K1 C8 N2 N1 -85.8(3) . . . . ?
K1 C8 P1 C7 63.4(2) . . . . ?
K1 C22 C23 C24 -74.5(5) . . . . ?
K1 C22 C23 C28 105.0(5) . . . . ?
K1 C22 N4 N3 -91.3(3) . . . . ?
K1 C22 P2 C21 63.80(19) . . . . ?
K1 C22 P2 K1 -100.82(15) . . . 5_756 ?
K1 N1 N2 C8 91.7(4) . . . . ?
K1 N3 N4 C22 95.3(3) . . . . ?
N1 C7 P1 C8 0.2(4) . . . . ?
N1 Cr1 N1 C7 -47.6(4) 2_756 . . . ?
N1 Cr1 N1 K1 -167.4(2) 2_756 . . . ?
N1 Cr1 N1 N2 118.3(3) 2_756 . . . ?
N1 Cr1 N3 C21 -139.8(10) 2_756 . . . ?
N1 Cr1 N3 C21 123.6(4) . . . . ?
N1 Cr1 N3 K1 -4.76(15) . . . . ?
N1 Cr1 N3 K1 91.8(10) 2_756 . . . ?
N1 Cr1 N3 N4 22.9(12) 2_756 . . . ?
N1 Cr1 N3 N4 -73.7(3) . . . . ?
N1 K1 N2 C8 -111.3(4) . . . . ?
N1 K1 N3 C21 -140.4(3) . . . . ?
N1 K1 N3 Cr1 3.84(12) . . . . ?
N1 K1 N3 N4 110.1(3) . . . . ?
N1 K1 N4 C22 -169.3(3) . . . . ?
N1 K1 N4 N3 -57.5(2) . . . . ?
N1 K1 O1 C33 -87.1(8) . . . . ?
N1 K1 O1 C36 95.8(8) . . . . ?
N1 K1 O2 C29 19.6(10) . . . . ?
N1 K1 O2 C32 -160.9(7) . . . . ?
N2 C8 C9 C10 173.9(5) . . . . ?
N2 C8 C9 C14 -6.3(8) . . . . ?
N2 C8 K1 C22 13.7(4) . . . . ?
N2 C8 K1 N1 38.4(3) . . . . ?
N2 C8 K1 N3 5.8(3) . . . . ?
N2 C8 K1 N4 24.4(3) . . . . ?
N2 C8 K1 O1 -143.4(3) . . . . ?
N2 C8 K1 O2 131.9(3) . . . . ?
N2 C8 K1 P2 -104.3(3) . . . 5_756 ?
N2 C8 P1 C7 0.5(4) . . . . ?
N2 K1 N1 C7 112.9(4) . . . . ?
N2 K1 N1 Cr1 -107.9(3) . . . . ?
N2 K1 N3 C21 -112.7(3) . . . . ?
N2 K1 N3 Cr1 31.51(13) . . . . ?
N2 K1 N3 N4 137.8(3) . . . . ?
N2 K1 N4 C22 -149.7(3) . . . . ?
N2 K1 N4 N3 -37.9(2) . . . . ?
N2 K1 O1 C33 -102.7(8) . . . . ?
N2 K1 O1 C36 80.2(8) . . . . ?
N2 K1 O2 C29 -1.9(10) . . . . ?
N2 K1 O2 C32 177.6(7) . . . . ?
N3 C21 P2 C22 -0.7(4) . . . . ?
N3 C21 P2 K1 154.4(2) . . . 5_756 ?
N3 Cr1 N1 C7 124.7(4) . . . . ?
N3 Cr1 N1 C7 -144.2(10) 2_756 . . . ?
N3 Cr1 N1 K1 4.91(16) . . . . ?
N3 Cr1 N1 K1 96.0(10) 2_756 . . . ?
N3 Cr1 N1 N2 21.7(12) 2_756 . . . ?
N3 Cr1 N1 N2 -69.3(3) . . . . ?
N3 Cr1 N3 C21 -48.7(4) 2_756 . . . ?
N3 Cr1 N3 K1 -177.0(2) 2_756 . . . ?
N3 Cr1 N3 N4 114.0(3) 2_756 . . . ?
N3 K1 N1 C7 -143.1(3) . . . . ?
N3 K1 N1 Cr1 -3.87(12) . . . . ?
N3 K1 N1 N2 104.0(3) . . . . ?
N3 K1 N2 C8 -173.6(3) . . . . ?
N3 K1 N2 N1 -62.3(2) . . . . ?
N3 K1 N4 C22 -111.8(4) . . . . ?
N3 K1 O1 C33 -159.3(8) . . . . ?
N3 K1 O1 C36 23.7(9) . . . . ?
N3 K1 O2 C29 79.0(10) . . . . ?
N3 K1 O2 C32 -101.5(7) . . . . ?
N4 C22 C23 C24 -11.7(7) . . . . ?
N4 C22 C23 C28 167.7(5) . . . . ?
N4 C22 K1 C8 25.8(3) . . . . ?
N4 C22 K1 N1 9.9(3) . . . . ?
N4 C22 K1 N2 31.5(3) . . . . ?
N4 C22 K1 N3 37.8(2) . . . . ?
N4 C22 K1 O1 163.7(3) . . . . ?
N4 C22 K1 O2 -96.2(3) . . . . ?
N4 C22 K1 P2 170.8(3) . . . 5_756 ?
N4 C22 P2 C21 0.5(4) . . . . ?
N4 C22 P2 K1 -164.1(3) . . . 5_756 ?
N4 K1 N1 C7 -117.2(3) . . . . ?
N4 K1 N1 Cr1 22.07(14) . . . . ?
N4 K1 N1 N2 129.9(3) . . . . ?
N4 K1 N2 C8 -156.7(3) . . . . ?
N4 K1 N2 N1 -45.4(2) . . . . ?
N4 K1 N3 C21 109.5(4) . . . . ?
N4 K1 N3 Cr1 -106.3(3) . . . . ?
N4 K1 O1 C33 153.5(8) . . . . ?
N4 K1 O1 C36 -23.6(12) . . . . ?
N4 K1 O2 C29 89.1(10) . . . . ?
N4 K1 O2 C32 -91.4(7) . . . . ?
O1 C33 C34 C35 -8.4(17) . . . . ?
O1 K1 N1 C7 75.2(4) . . . . ?
O1 K1 N1 Cr1 -145.52(19) . . . . ?
O1 K1 N1 N2 -37.6(3) . . . . ?
O1 K1 N2 C8 36.2(3) . . . . ?
O1 K1 N2 N1 147.5(3) . . . . ?
O1 K1 N3 C21 -47.6(4) . . . . ?
O1 K1 N3 Cr1 96.6(3) . . . . ?
O1 K1 N3 N4 -157.1(3) . . . . ?
O1 K1 N4 C22 -44.4(8) . . . . ?
O1 K1 N4 N3 67.4(7) . . . . ?
O1 K1 O2 C29 -100.6(10) . . . . ?
O1 K1 O2 C32 78.9(7) . . . . ?
O2 C29 C30 C31 5.9(17) . . . . ?
O2 K1 N1 C7 -22.2(3) . . . . ?
O2 K1 N1 Cr1 117.10(18) . . . . ?
O2 K1 N1 N2 -135.0(3) . . . . ?
O2 K1 N2 C8 -57.4(3) . . . . ?
O2 K1 N2 N1 54.0(3) . . . . ?
O2 K1 N3 C21 133.2(3) . . . . ?
O2 K1 N3 Cr1 -82.6(2) . . . . ?
O2 K1 N3 N4 23.6(3) . . . . ?
O2 K1 N4 C22 87.9(3) . . . . ?
O2 K1 N4 N3 -160.3(2) . . . . ?
O2 K1 O1 C33 20.1(8) . . . . ?
O2 K1 O1 C36 -156.9(8) . . . . ?
P1 C7 N1 Cr1 164.8(2) . . . . ?
P1 C7 N1 K1 -72.0(3) . . . . ?
P1 C7 N1 N2 -0.9(5) . . . . ?
P1 C8 C9 C10 -8.0(8) . . . . ?
P1 C8 C9 C14 171.8(5) . . . . ?
P1 C8 K1 C22 -100.7(2) . . . . ?
P1 C8 K1 N1 -75.9(2) . . . . ?
P1 C8 K1 N2 -114.3(4) . . . . ?
P1 C8 K1 N3 -108.5(2) . . . . ?
P1 C8 K1 N4 -89.9(2) . . . . ?
P1 C8 K1 O1 102.2(2) . . . . ?
P1 C8 K1 O2 17.5(2) . . . . ?
P1 C8 K1 P2 141.37(14) . . . 5_756 ?
P1 C8 N2 K1 84.8(3) . . . . ?
P1 C8 N2 N1 -1.1(5) . . . . ?
P2 C21 N3 Cr1 163.1(2) . . . . ?
P2 C21 N3 K1 -68.2(3) . . . . ?
P2 C21 N3 N4 0.7(5) . . . . ?
P2 C22 C23 C24 169.5(4) . . . . ?
P2 C22 C23 C28 -11.0(7) . . . . ?
P2 C22 K1 C8 -85.3(2) . . . . ?
P2 C22 K1 N1 -101.2(2) . . . . ?
P2 C22 K1 N2 -79.6(2) . . . . ?
P2 C22 K1 N3 -73.3(2) . . . . ?
P2 C22 K1 N4 -111.1(3) . . . . ?
P2 C22 K1 O1 52.6(4) . . . . ?
P2 C22 K1 O2 152.7(2) . . . . ?
P2 C22 K1 P2 59.64(18) . . . 5_756 ?
P2 C22 N4 K1 91.0(3) . . . . ?
P2 C22 N4 N3 -0.3(5) . . . . ?
P2 K1 N1 C7 -173.4(3) 5_756 . . . ?
P2 K1 N1 Cr1 -34.1(3) 5_756 . . . ?
P2 K1 N1 N2 73.7(3) 5_756 . . . ?
P2 K1 N2 C8 106.3(3) 5_756 . . . ?
P2 K1 N2 N1 -142.4(2) 5_756 . . . ?
P2 K1 N3 C21 27.7(3) 5_756 . . . ?
P2 K1 N3 Cr1 171.86(11) 5_756 . . . ?
P2 K1 N3 N4 -81.9(2) 5_756 . . . ?
P2 K1 N4 C22 -9.0(3) 5_756 . . . ?
P2 K1 N4 N3 102.9(2) 5_756 . . . ?
P2 K1 O1 C33 116.1(8) 5_756 . . . ?
P2 K1 O1 C36 -60.9(8) 5_756 . . . ?
P2 K1 O2 C29 -171.6(10) 5_756 . . . ?
P2 K1 O2 C32 7.9(7) 5_756 . . . ?
