#------------------------------------------------------------------------------
#$Date: 2025-07-06 19:13:31 +0300 (Sun, 06 Jul 2025) $
#$Revision: 300846 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/88/7718862.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_7718862
loop_
_publ_author_name
'Price, Jeffrey S.'
'Emslie, David J. H.'
_publ_section_title
;
 Manganese germylene complexes: reactivity with dihydrogen, isonitriles,
 and dinitrogen.
;
_journal_issue                   25
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9949
_journal_page_last               9968
_journal_paper_doi               10.1039/d5dt01025j
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C24 H43 Mn N2 P4 Si'
_chemical_formula_sum            'C24 H43 Mn N2 P4 Si'
_chemical_formula_weight         566.51
_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2025-04-24
_audit_creation_method
;
Olex2 1.5
(compiled 2025.04.05 svn.rf049d14d for OlexSys, GUI svn.r7217)
;
_audit_update_record
;
2025-05-01 deposited with the CCDC.	2025-06-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 105.91(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.300(6)
_cell_length_b                   16.285(9)
_cell_length_c                   17.635(12)
_cell_measurement_reflns_used    7013
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      25.21
_cell_measurement_theta_min      2.42
_cell_volume                     2845(3)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100.00
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker Dual Source D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0770
_diffrn_reflns_av_unetI/netI     0.0937
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            31909
_diffrn_reflns_point_group_measured_fraction_full 0.979
_diffrn_reflns_point_group_measured_fraction_max 0.959
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.739
_diffrn_reflns_theta_min         2.425
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.747
_exptl_absorpt_correction_T_max  0.8622
_exptl_absorpt_correction_T_min  0.7513
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0958 before and 0.0734 after correction.
The Ratio of minimum to maximum transmission is 0.8714.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.323
_exptl_crystal_description       block
_exptl_crystal_F_000             1200
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.009
_refine_diff_density_min         -0.518
_refine_diff_density_rms         0.098
_refine_ls_abs_structure_details
;
 Flack x determined using 2080 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.046(14)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     362
_refine_ls_number_reflns         7794
_refine_ls_number_restraints     194
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.1018
_refine_ls_R_factor_gt           0.0585
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0497P)²+9.1517P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1246
_refine_ls_wR_factor_ref         0.1464
_reflns_Friedel_coverage         0.930
_reflns_Friedel_fraction_full    0.960
_reflns_Friedel_fraction_max     0.926
_reflns_number_gt                5386
_reflns_number_total             7794
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5dt01025j3.cif
_cod_data_source_block           MnSiHPh2_N2_trans
_cod_depositor_comments
'Adding full bibliography for 7718858--7718867.cif.'
_cod_original_sg_symbol_H-M      Cc
_cod_database_code               7718862
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_max   0.929
_shelx_estimated_absorpt_t_min   0.896
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 Si1-C1 \\sim Si1A-C1A \\sim Si1-C7 \\sim Si1A-C7A
 with sigma of 0.005
 C1-C2 \\sim C6-C1 \\sim C1A-C2A \\sim C6A-C1A \\sim C7-C8 \\sim C12-C7 \\sim
C7A-C8A \\sim C12A-C7A
 with sigma of 0.005
 C2-C3 \\sim C5-C6 \\sim C2A-C3A \\sim C5A-C6A \\sim C8-C9 \\sim C11-C12 \\sim
C8A-C9A \\sim C11A-C12A
 with sigma of 0.005
 C3-C4 \\sim C4-C5 \\sim C3A-C4A \\sim C4A-C5A \\sim C9-C10 \\sim C10-C11 \\sim
C9A-C10A \\sim C10A-C11A
 with sigma of 0.005
 P1-C13 \\sim P1-C14 \\sim P2-C17 \\sim P2-C18 \\sim P2-C17A \\sim P2-C18A
\\sim P3-C19 \\sim P3-C20 \\sim P4-
 C23 \\sim P4-C24 \\sim P4-C23A \\sim P4-C24A
 with sigma of 0.005
 C13-C14 \\sim C17-C18 \\sim C17A-C18A \\sim C19-C20 \\sim C23-C24 \\sim
C23A-C24A
 with sigma of 0.005
 P1-C15 \\sim P2-C16 \\sim P2-C16A \\sim P3-C21 \\sim P4-C22 \\sim P4-C22A
 with sigma of 0.005
 C15-C16 \\sim C15-C16A \\sim C21-C22 \\sim C21-C22A
 with sigma of 0.005
3. Uiso/Uaniso restraints and constraints
Uanis(Si1) = Uanis(Si1A)
Uanis(C22A) = Uanis(C22)
Uanis(C23) = Uanis(C24A)
Uanis(C24) = Uanis(C23A)
Uanis(C18A) = Uanis(C18)
Uanis(C17) = Uanis(C17A)
Uanis(C16A) = Uanis(C16)
Uanis(C1) = Uanis(C4)
Uanis(C6) = Uanis(C3)
Uanis(C5) = Uanis(C2)
Uanis(C7) = Uanis(C10)
Uanis(C8) = Uanis(C11)
Uanis(C9) = Uanis(C12)
Uanis(C1A) = Uanis(C4A)
Uanis(C6A) = Uanis(C3A)
Uanis(C5A) = Uanis(C2A)
Uanis(C7A) = Uanis(C10A)
Uanis(C8A) = Uanis(C11A)
Uanis(C9A) = Uanis(C12A)
4. Others
 Sof(Si1A)=Sof(C1A)=Sof(C2A)=Sof(H2A)=Sof(C3A)=Sof(H3A)=Sof(C4A)=Sof(H4A)=
 Sof(C5A)=Sof(H5A)=Sof(C6A)=Sof(H6A)=Sof(C7A)=Sof(C8A)=Sof(H8A)=Sof(C9A)=
 Sof(H9A)=Sof(C10A)=Sof(H10A)=Sof(C11A)=Sof(H11A)=Sof(C12A)=Sof(H12A)=Sof(H15C)=
 Sof(H15D)=Sof(C16A)=Sof(H16C)=Sof(H16D)=Sof(C17A)=Sof(H17D)=Sof(H17E)=
 Sof(H17F)=Sof(C18A)=Sof(H18D)=Sof(H18E)=Sof(H18F)=Sof(H21C)=Sof(H21D)=
 Sof(C22A)=Sof(H22C)=Sof(H22D)=Sof(C23A)=Sof(H23D)=Sof(H23E)=Sof(H23F)=
 Sof(C24A)=Sof(H24D)=Sof(H24E)=Sof(H24F)=1-FVAR(1)
 Sof(Si1)=Sof(H1)=Sof(C1)=Sof(C2)=Sof(H2)=Sof(C3)=Sof(H3)=Sof(C4)=Sof(H4)=
 Sof(C5)=Sof(H5)=Sof(C6)=Sof(H6)=Sof(C7)=Sof(C8)=Sof(H8)=Sof(C9)=Sof(H9)=
 Sof(C10)=Sof(H10)=Sof(C11)=Sof(H11)=Sof(C12)=Sof(H12)=Sof(H15A)=Sof(H15B)=
 Sof(C16)=Sof(H16A)=Sof(H16B)=Sof(C17)=Sof(H17A)=Sof(H17B)=Sof(H17C)=Sof(C18)=
 Sof(H18A)=Sof(H18B)=Sof(H18C)=Sof(H21A)=Sof(H21B)=Sof(C22)=Sof(H22A)=Sof(H22B)=
 Sof(C23)=Sof(H23A)=Sof(H23B)=Sof(H23C)=Sof(C24)=Sof(H24A)=Sof(H24B)=Sof(H24C)=
 FVAR(1)
5.a Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B), C15(H15C,H15D), C16(H16A,H16B), C16A(H16C,H16D), C21(H21A,
 H21B), C21(H21C,H21D), C22(H22A,H22B), C22A(H22C,H22D)
5.b Me refined with riding coordinates:
 C20(H20A,H20B,H20C)
5.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C2A(H2A), C3(H3), C3A(H3A), C4(H4), C4A(H4A), C5(H5), C5A(H5A),
 C6(H6), C6A(H6A), C8(H8), C8A(H8A), C9(H9), C9A(H9A), C10(H10), C10A(H10A),
 C11(H11), C11A(H11A), C12(H12), C12A(H12A)
5.d Idealised Me refined as rotating group:
 C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C17(H17A,H17B,H17C), C17A(H17D,H17E,
 H17F), C18(H18A,H18B,H18C), C18A(H18D,H18E,H18F), C19(H19A,H19B,H19C),
 C23(H23A,H23B,H23C), C23A(H23D,H23E,H23F), C24(H24A,H24B,H24C), C24A(H24D,H24E,
 H24F)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'
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
Mn1 Mn 0.61860(12) 0.43124(6) 0.55960(7) 0.0219(2) Uani 1 1 d . . . . .
P1 P 0.81660(19) 0.40022(12) 0.53775(11) 0.0286(4) Uani 1 1 d D . . . .
P2 P 0.6390(2) 0.54802(12) 0.49578(12) 0.0346(5) Uani 1 1 d D . . . .
P3 P 0.42106(19) 0.46562(11) 0.58297(11) 0.0288(4) Uani 1 1 d D . . . .
P4 P 0.6106(2) 0.31907(12) 0.63266(12) 0.0318(4) Uani 1 1 d D . . . .
Si1 Si 0.5168(3) 0.38371(15) 0.42405(15) 0.0223(5) Uani 0.698(3) 1 d D . P A 1
H1 H 0.552(10) 0.438(6) 0.373(6) 0.02(2) Uiso 0.698(3) 1 d . . P A 1
Si1A Si 0.4825(6) 0.3356(4) 0.4606(3) 0.0223(5) Uani 0.302(3) 1 d D . P A 2
N1 N 0.7047(7) 0.4808(4) 0.6521(4) 0.0353(14) Uani 1 1 d . . . . .
N2 N 0.7583(8) 0.5115(5) 0.7103(4) 0.0505(19) Uani 1 1 d . . . . .
C1 C 0.3236(8) 0.3729(12) 0.3829(12) 0.028(2) Uani 0.698(3) 1 d D . P A 1
C1A C 0.3089(15) 0.361(3) 0.389(2) 0.026(4) Uani 0.302(3) 1 d D . P A 2
C2 C 0.2482(11) 0.3135(7) 0.4095(8) 0.033(2) Uani 0.698(3) 1 d D . P A 1
H2 H 0.293281 0.275037 0.448352 0.040 Uiso 0.698(3) 1 calc R U P A 1
C2A C 0.194(2) 0.3235(16) 0.4015(14) 0.027(5) Uani 0.302(3) 1 d D . P A 2
H2A H 0.206716 0.288029 0.445644 0.032 Uiso 0.302(3) 1 calc R U P A 2
C3 C 0.1082(11) 0.3096(7) 0.3801(7) 0.034(2) Uani 0.698(3) 1 d D . P A 1
H3 H 0.058677 0.269155 0.399227 0.041 Uiso 0.698(3) 1 calc R U P A 1
C3A C 0.064(2) 0.3348(16) 0.3534(12) 0.028(5) Uani 0.302(3) 1 d D . P A 2
H3A H -0.009635 0.304575 0.361824 0.034 Uiso 0.302(3) 1 calc R U P A 2
C4 C 0.0420(10) 0.3643(6) 0.3233(6) 0.028(2) Uani 0.698(3) 1 d D . P A 1
H4 H -0.053598 0.362199 0.304105 0.034 Uiso 0.698(3) 1 calc R U P A 1
C4A C 0.045(2) 0.3910(14) 0.2933(12) 0.026(4) Uani 0.302(3) 1 d D . P A 2
H4A H -0.043938 0.402993 0.262263 0.032 Uiso 0.302(3) 1 calc R U P A 2
C5 C 0.1126(12) 0.4218(7) 0.2940(7) 0.033(2) Uani 0.698(3) 1 d D . P A 1
H5 H 0.066347 0.458966 0.254235 0.040 Uiso 0.698(3) 1 calc R U P A 1
C5A C 0.153(2) 0.4300(16) 0.2775(14) 0.027(5) Uani 0.302(3) 1 d D . P A 2
H5A H 0.138820 0.465781 0.233476 0.032 Uiso 0.302(3) 1 calc R U P A 2
C6 C 0.2523(12) 0.4254(11) 0.3229(10) 0.034(2) Uani 0.698(3) 1 d D . P A 1
H6 H 0.300781 0.464509 0.301444 0.041 Uiso 0.698(3) 1 calc R U P A 1
C6A C 0.282(3) 0.417(2) 0.3261(18) 0.028(5) Uani 0.302(3) 1 d D . P A 2
H6A H 0.355189 0.446953 0.316348 0.034 Uiso 0.302(3) 1 calc R U P A 2
C7 C 0.576(2) 0.2899(6) 0.3751(10) 0.028(2) Uani 0.698(3) 1 d D . P A 1
C7A C 0.558(4) 0.2810(12) 0.385(2) 0.021(4) Uani 0.302(3) 1 d D . P A 2
C8 C 0.547(2) 0.2086(6) 0.3896(12) 0.031(2) Uani 0.698(3) 1 d D . P A 1
H8 H 0.495508 0.197545 0.425889 0.037 Uiso 0.698(3) 1 calc R U P A 1
C8A C 0.569(4) 0.1954(12) 0.386(2) 0.029(5) Uani 0.302(3) 1 d D . P A 2
H8A H 0.531695 0.166140 0.421271 0.035 Uiso 0.302(3) 1 calc R U P A 2
C9 C 0.5908(14) 0.1434(7) 0.3522(8) 0.033(2) Uani 0.698(3) 1 d D . P A 1
H9 H 0.570545 0.088704 0.363873 0.039 Uiso 0.698(3) 1 calc R U P A 1
C9A C 0.629(3) 0.1495(15) 0.3381(15) 0.026(4) Uani 0.302(3) 1 d D . P A 2
H9A H 0.637108 0.091440 0.342529 0.031 Uiso 0.302(3) 1 calc R U P A 2
C10 C 0.6631(11) 0.1569(6) 0.2985(6) 0.028(2) Uani 0.698(3) 1 d D . P A 1
H10 H 0.693491 0.111949 0.273571 0.034 Uiso 0.698(3) 1 calc R U P A 1
C10A C 0.678(2) 0.1925(14) 0.2848(14) 0.021(4) Uani 0.302(3) 1 d D . P A 2
H10A H 0.719577 0.163596 0.250983 0.026 Uiso 0.302(3) 1 calc R U P A 2
C11 C 0.6910(12) 0.2359(7) 0.2815(7) 0.031(2) Uani 0.698(3) 1 d D . P A 1
H11 H 0.740892 0.245944 0.244426 0.037 Uiso 0.698(3) 1 calc R U P A 1
C11A C 0.667(3) 0.2764(15) 0.2790(13) 0.029(5) Uani 0.302(3) 1 d D . P A 2
H11A H 0.701391 0.304720 0.241552 0.035 Uiso 0.302(3) 1 calc R U P A 2
C12 C 0.6465(13) 0.3014(7) 0.3184(7) 0.033(2) Uani 0.698(3) 1 d D . P A 1
H12 H 0.664699 0.355836 0.304785 0.039 Uiso 0.698(3) 1 calc R U P A 1
C12A C 0.606(2) 0.3203(15) 0.3278(13) 0.026(4) Uani 0.302(3) 1 d D . P A 2
H12A H 0.597718 0.378233 0.322042 0.031 Uiso 0.302(3) 1 calc R U P A 2
C13 C 0.8760(8) 0.2971(4) 0.5215(5) 0.0426(19) Uani 1 1 d D . . . .
H13A H 0.886957 0.264003 0.569201 0.064 Uiso 1 1 calc R U . . .
H13B H 0.962957 0.301427 0.509132 0.064 Uiso 1 1 calc R U . . .
H13C H 0.809926 0.270917 0.477352 0.064 Uiso 1 1 calc R U . . .
C14 C 0.9663(6) 0.4345(5) 0.6151(4) 0.048(2) Uani 1 1 d D . . . .
H14A H 0.963140 0.494275 0.620879 0.073 Uiso 1 1 calc R U . . .
H14B H 1.048159 0.419362 0.600299 0.073 Uiso 1 1 calc R U . . .
H14C H 0.967175 0.408149 0.665168 0.073 Uiso 1 1 calc R U . . .
C15 C 0.8421(8) 0.4581(4) 0.4524(4) 0.0359(17) Uani 1 1 d D . . . .
H15A H 0.939914 0.463442 0.457726 0.043 Uiso 0.698(3) 1 calc R U P A 1
H15B H 0.800536 0.427678 0.403132 0.043 Uiso 0.698(3) 1 calc R U P A 1
H15C H 0.937713 0.456396 0.451503 0.043 Uiso 0.302(3) 1 calc R U P A 2
H15D H 0.784631 0.436095 0.402019 0.043 Uiso 0.302(3) 1 calc R U P A 2
C16 C 0.7783(13) 0.5440(5) 0.4480(11) 0.042(5) Uani 0.698(3) 1 d D . P A 1
H16A H 0.743173 0.560133 0.391943 0.050 Uiso 0.698(3) 1 calc R U P A 1
H16B H 0.848788 0.584046 0.473877 0.050 Uiso 0.698(3) 1 calc R U P A 1
C16A C 0.799(3) 0.5458(6) 0.467(4) 0.042(5) Uani 0.302(3) 1 d D . P A 2
H16C H 0.788898 0.578900 0.418999 0.050 Uiso 0.302(3) 1 calc R U P A 2
H16D H 0.871579 0.571161 0.509869 0.050 Uiso 0.302(3) 1 calc R U P A 2
C17 C 0.5012(10) 0.6024(7) 0.4242(6) 0.047(3) Uani 0.698(3) 1 d D . P A 1
H17A H 0.448298 0.563011 0.386055 0.070 Uiso 0.698(3) 1 calc R U P A 1
H17B H 0.539678 0.643917 0.396335 0.070 Uiso 0.698(3) 1 calc R U P A 1
H17C H 0.442685 0.629264 0.452105 0.070 Uiso 0.698(3) 1 calc R U P A 1
C17A C 0.528(3) 0.5689(15) 0.3966(7) 0.047(3) Uani 0.302(3) 1 d D . P A 2
H17D H 0.545213 0.528647 0.359227 0.070 Uiso 0.302(3) 1 calc R U P A 2
H17E H 0.545244 0.624285 0.380104 0.070 Uiso 0.302(3) 1 calc R U P A 2
H17F H 0.433166 0.564759 0.397518 0.070 Uiso 0.302(3) 1 calc R U P A 2
C18 C 0.6972(14) 0.6352(5) 0.5639(6) 0.053(4) Uani 0.698(3) 1 d D . P A 1
H18A H 0.625166 0.651481 0.587389 0.079 Uiso 0.698(3) 1 calc R U P A 1
H18B H 0.720092 0.681712 0.534671 0.079 Uiso 0.698(3) 1 calc R U P A 1
H18C H 0.777114 0.618737 0.605670 0.079 Uiso 0.698(3) 1 calc R U P A 1
C18A C 0.638(4) 0.6508(8) 0.5384(14) 0.053(4) Uani 0.302(3) 1 d D . P A 2
H18D H 0.727457 0.662981 0.573559 0.079 Uiso 0.302(3) 1 calc R U P A 2
H18E H 0.570703 0.652754 0.568298 0.079 Uiso 0.302(3) 1 calc R U P A 2
H18F H 0.615208 0.691656 0.495927 0.079 Uiso 0.302(3) 1 calc R U P A 2
C19 C 0.2680(6) 0.5081(5) 0.5136(4) 0.0404(19) Uani 1 1 d D . . . .
H19A H 0.237648 0.471137 0.468377 0.061 Uiso 1 1 calc R U . . .
H19B H 0.288502 0.562162 0.495335 0.061 Uiso 1 1 calc R U . . .
H19C H 0.196635 0.513631 0.540324 0.061 Uiso 1 1 calc R U . . .
C20 C 0.4333(9) 0.5399(6) 0.6639(4) 0.057(3) Uani 1 1 d D . . . .
H20A H 0.511934 0.526601 0.707846 0.085 Uiso 1 1 calc R U . . .
H20B H 0.443043 0.595481 0.644928 0.085 Uiso 1 1 calc R U . . .
H20C H 0.351261 0.536883 0.681702 0.085 Uiso 1 1 calc R U . . .
C21 C 0.3508(7) 0.3748(4) 0.6212(5) 0.044(2) Uani 1 1 d D . . . .
H21A H 0.283101 0.391906 0.648553 0.053 Uiso 0.698(3) 1 calc R U P A 1
H21B H 0.306784 0.337299 0.577512 0.053 Uiso 0.698(3) 1 calc R U P A 1
H21C H 0.299447 0.394169 0.657720 0.053 Uiso 0.302(3) 1 calc R U P A 2
H21D H 0.285861 0.347461 0.576371 0.053 Uiso 0.302(3) 1 calc R U P A 2
C22 C 0.4708(9) 0.3319(8) 0.6791(6) 0.039(4) Uani 0.698(3) 1 d D . P A 1
H22A H 0.442272 0.277534 0.693796 0.046 Uiso 0.698(3) 1 calc R U P A 1
H22B H 0.502027 0.365199 0.727680 0.046 Uiso 0.698(3) 1 calc R U P A 1
C22A C 0.454(2) 0.310(2) 0.665(2) 0.039(4) Uani 0.302(3) 1 d D . P A 2
H22C H 0.415372 0.254664 0.652640 0.046 Uiso 0.302(3) 1 calc R U P A 2
H22D H 0.474871 0.319235 0.722164 0.046 Uiso 0.302(3) 1 calc R U P A 2
C23 C 0.5722(12) 0.2158(4) 0.5896(6) 0.042(3) Uani 0.698(3) 1 d D . P A 1
H23A H 0.482017 0.215809 0.552323 0.064 Uiso 0.698(3) 1 calc R U P A 1
H23B H 0.575123 0.175987 0.631638 0.064 Uiso 0.698(3) 1 calc R U P A 1
H23C H 0.639226 0.200804 0.561819 0.064 Uiso 0.698(3) 1 calc R U P A 1
C23A C 0.722(3) 0.3305(14) 0.7339(8) 0.047(3) Uani 0.302(3) 1 d D . P A 2
H23D H 0.706852 0.284561 0.766406 0.070 Uiso 0.302(3) 1 calc R U P A 2
H23E H 0.701151 0.382285 0.756460 0.070 Uiso 0.302(3) 1 calc R U P A 2
H23F H 0.816225 0.330764 0.732533 0.070 Uiso 0.302(3) 1 calc R U P A 2
C24 C 0.7546(10) 0.2928(7) 0.7161(6) 0.047(3) Uani 0.698(3) 1 d D . P A 1
H24A H 0.826375 0.268777 0.696500 0.070 Uiso 0.698(3) 1 calc R U P A 1
H24B H 0.726070 0.253096 0.750088 0.070 Uiso 0.698(3) 1 calc R U P A 1
H24C H 0.788301 0.342571 0.746387 0.070 Uiso 0.698(3) 1 calc R U P A 1
C24A C 0.645(3) 0.2098(6) 0.6188(13) 0.042(3) Uani 0.302(3) 1 d D . P A 2
H24D H 0.624844 0.177208 0.660792 0.064 Uiso 0.302(3) 1 calc R U P A 2
H24E H 0.740587 0.203025 0.620673 0.064 Uiso 0.302(3) 1 calc R U P A 2
H24F H 0.588636 0.191202 0.567503 0.064 Uiso 0.302(3) 1 calc R U P A 2
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'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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
P1 Mn1 P2 83.70(8) . . ?
P1 Mn1 P3 178.55(9) . . ?
P1 Mn1 P4 95.38(8) . . ?
P1 Mn1 Si1 85.83(9) . . ?
P1 Mn1 Si1A 95.94(14) . . ?
P2 Mn1 P3 95.40(8) . . ?
P2 Mn1 P4 175.10(10) . . ?
P2 Mn1 Si1 81.55(9) . . ?
P2 Mn1 Si1A 106.99(15) . . ?
P3 Mn1 Si1 95.18(9) . . ?
P3 Mn1 Si1A 85.41(15) . . ?
P4 Mn1 P3 85.42(8) . . ?
P4 Mn1 Si1 103.20(10) . . ?
P4 Mn1 Si1A 77.88(15) . . ?
N1 Mn1 P1 90.6(2) . . ?
N1 Mn1 P2 89.1(2) . . ?
N1 Mn1 P3 88.2(2) . . ?
N1 Mn1 P4 86.1(2) . . ?
N1 Mn1 Si1 170.3(2) . . ?
N1 Mn1 Si1A 163.2(2) . . ?
C13 P1 Mn1 126.4(3) . . ?
C13 P1 C14 98.4(3) . . ?
C13 P1 C15 102.1(3) . . ?
C14 P1 Mn1 115.0(3) . . ?
C14 P1 C15 99.8(4) . . ?
C15 P1 Mn1 111.3(2) . . ?
C16 P2 Mn1 112.8(3) . . ?
C16A P2 Mn1 109.3(9) . . ?
C17 P2 Mn1 126.1(4) . . ?
C17 P2 C16 104.6(7) . . ?
C17 P2 C18 97.3(4) . . ?
C17A P2 Mn1 120.8(9) . . ?
C17A P2 C16A 97(2) . . ?
C18 P2 Mn1 112.5(4) . . ?
C18 P2 C16 99.7(7) . . ?
C18A P2 Mn1 123.7(10) . . ?
C18A P2 C16A 103.5(15) . . ?
C18A P2 C17A 98.5(4) . . ?
C19 P3 Mn1 128.5(2) . . ?
C19 P3 C20 97.5(3) . . ?
C19 P3 C21 101.1(4) . . ?
C20 P3 Mn1 115.5(3) . . ?
C20 P3 C21 101.1(4) . . ?
C21 P3 Mn1 109.3(3) . . ?
C22 P4 Mn1 108.4(3) . . ?
C22A P4 Mn1 114.0(5) . . ?
C23 P4 Mn1 122.8(4) . . ?
C23 P4 C22 100.4(6) . . ?
C23A P4 Mn1 111.2(8) . . ?
C23A P4 C22A 94.3(16) . . ?
C24 P4 Mn1 120.1(4) . . ?
C24 P4 C22 103.1(5) . . ?
C24 P4 C23 98.8(4) . . ?
C24A P4 Mn1 131.9(9) . . ?
C24A P4 C22A 100.6(16) . . ?
C24A P4 C23A 97.7(4) . . ?
Mn1 Si1 H1 109(4) . . ?
C1 Si1 Mn1 121.0(8) . . ?
C1 Si1 H1 104(4) . . ?
C1 Si1 C7 100.2(10) . . ?
C7 Si1 Mn1 125.6(7) . . ?
C7 Si1 H1 92(4) . . ?
C1A Si1A Mn1 124.8(17) . . ?
C1A Si1A C7A 97(2) . . ?
C7A Si1A Mn1 121.4(13) . . ?
N2 N1 Mn1 179.5(8) . . ?
C2 C1 Si1 123.1(7) . . ?
C2 C1 C6 116.8(9) . . ?
C6 C1 Si1 120.1(8) . . ?
C2A C1A Si1A 118.0(15) . . ?
C6A C1A Si1A 127.1(17) . . ?
C6A C1A C2A 114.8(16) . . ?
C1 C2 H2 119.4 . . ?
C3 C2 C1 121.3(9) . . ?
C3 C2 H2 119.4 . . ?
C1A C2A H2A 118.0 . . ?
C3A C2A C1A 124.0(18) . . ?
C3A C2A H2A 118.0 . . ?
C2 C3 H3 120.1 . . ?
C4 C3 C2 119.9(10) . . ?
C4 C3 H3 120.1 . . ?
C2A C3A H3A 121.0 . . ?
C4A C3A C2A 118(2) . . ?
C4A C3A H3A 121.0 . . ?
C3 C4 H4 119.7 . . ?
C5 C4 C3 120.6(10) . . ?
C5 C4 H4 119.7 . . ?
C3A C4A H4A 119.6 . . ?
C5A C4A C3A 121(2) . . ?
C5A C4A H4A 119.6 . . ?
C4 C5 H5 120.2 . . ?
C4 C5 C6 119.6(11) . . ?
C6 C5 H5 120.2 . . ?
C4A C5A H5A 120.1 . . ?
C4A C5A C6A 120(2) . . ?
C6A C5A H5A 120.1 . . ?
C1 C6 H6 119.1 . . ?
C5 C6 C1 121.8(10) . . ?
C5 C6 H6 119.1 . . ?
C1A C6A H6A 118.9 . . ?
C5A C6A C1A 122(2) . . ?
C5A C6A H6A 118.9 . . ?
C8 C7 Si1 123.9(8) . . ?
C8 C7 C12 116.0(8) . . ?
C12 C7 Si1 120.1(7) . . ?
C8A C7A Si1A 120.1(15) . . ?
C8A C7A C12A 114.6(15) . . ?
C12A C7A Si1A 125.3(14) . . ?
C7 C8 H8 119.3 . . ?
C9 C8 C7 121.4(11) . . ?
C9 C8 H8 119.3 . . ?
C7A C8A H8A 117.2 . . ?
C9A C8A C7A 126(2) . . ?
C9A C8A H8A 117.2 . . ?
C8 C9 H9 119.5 . . ?
C10 C9 C8 121.0(12) . . ?
C10 C9 H9 119.5 . . ?
C8A C9A H9A 121.8 . . ?
C10A C9A C8A 116(2) . . ?
C10A C9A H9A 121.8 . . ?
C9 C10 H10 120.4 . . ?
C11 C10 C9 119.2(10) . . ?
C11 C10 H10 120.4 . . ?
C9A C10A H10A 119.3 . . ?
C9A C10A C11A 121(2) . . ?
C11A C10A H10A 119.3 . . ?
C10 C11 H11 119.9 . . ?
C10 C11 C12 120.1(9) . . ?
C12 C11 H11 119.9 . . ?
C10A C11A H11A 119.8 . . ?
C10A C11A C12A 120(2) . . ?
C12A C11A H11A 119.8 . . ?
C7 C12 H12 118.9 . . ?
C11 C12 C7 122.2(8) . . ?
C11 C12 H12 118.9 . . ?
C7A C12A H12A 119.3 . . ?
C11A C12A C7A 121.4(18) . . ?
C11A C12A H12A 119.3 . . ?
P1 C13 H13A 109.5 . . ?
P1 C13 H13B 109.5 . . ?
P1 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
P1 C14 H14A 109.5 . . ?
P1 C14 H14B 109.5 . . ?
P1 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
P1 C15 H15A 109.5 . . ?
P1 C15 H15B 109.5 . . ?
P1 C15 H15C 111.2 . . ?
P1 C15 H15D 111.2 . . ?
H15A C15 H15B 108.1 . . ?
H15C C15 H15D 109.1 . . ?
C16 C15 P1 110.5(6) . . ?
C16 C15 H15A 109.5 . . ?
C16 C15 H15B 109.5 . . ?
C16A C15 P1 102.8(17) . . ?
C16A C15 H15C 111.2 . . ?
C16A C15 H15D 111.2 . . ?
P2 C16 H16A 109.1 . . ?
P2 C16 H16B 109.1 . . ?
C15 C16 P2 112.5(5) . . ?
C15 C16 H16A 109.1 . . ?
C15 C16 H16B 109.1 . . ?
H16A C16 H16B 107.8 . . ?
P2 C16A H16C 109.1 . . ?
P2 C16A H16D 109.1 . . ?
C15 C16A P2 112.5(6) . . ?
C15 C16A H16C 109.1 . . ?
C15 C16A H16D 109.1 . . ?
H16C C16A H16D 107.8 . . ?
P2 C17 H17A 109.5 . . ?
P2 C17 H17B 109.5 . . ?
P2 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
P2 C17A H17D 109.5 . . ?
P2 C17A H17E 109.5 . . ?
P2 C17A H17F 109.5 . . ?
H17D C17A H17E 109.5 . . ?
H17D C17A H17F 109.5 . . ?
H17E C17A H17F 109.5 . . ?
P2 C18 H18A 109.5 . . ?
P2 C18 H18B 109.5 . . ?
P2 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
P2 C18A H18D 109.5 . . ?
P2 C18A H18E 109.5 . . ?
P2 C18A H18F 109.5 . . ?
H18D C18A H18E 109.5 . . ?
H18D C18A H18F 109.5 . . ?
H18E C18A H18F 109.5 . . ?
P3 C19 H19A 109.5 . . ?
P3 C19 H19B 109.5 . . ?
P3 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
P3 C20 H20A 109.5 . . ?
P3 C20 H20B 109.5 . . ?
P3 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
P3 C21 H21A 110.5 . . ?
P3 C21 H21B 110.5 . . ?
P3 C21 H21C 108.3 . . ?
P3 C21 H21D 108.3 . . ?
H21A C21 H21B 108.7 . . ?
H21C C21 H21D 107.4 . . ?
C22 C21 P3 106.3(6) . . ?
C22 C21 H21A 110.5 . . ?
C22 C21 H21B 110.5 . . ?
C22A C21 P3 116.0(9) . . ?
C22A C21 H21C 108.3 . . ?
C22A C21 H21D 108.3 . . ?
P4 C22 H22A 109.7 . . ?
P4 C22 H22B 109.7 . . ?
C21 C22 P4 109.8(5) . . ?
C21 C22 H22A 109.7 . . ?
C21 C22 H22B 109.7 . . ?
H22A C22 H22B 108.2 . . ?
P4 C22A H22C 109.7 . . ?
P4 C22A H22D 109.7 . . ?
C21 C22A P4 109.7(6) . . ?
C21 C22A H22C 109.7 . . ?
C21 C22A H22D 109.7 . . ?
H22C C22A H22D 108.2 . . ?
P4 C23 H23A 109.5 . . ?
P4 C23 H23B 109.5 . . ?
P4 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
P4 C23A H23D 109.5 . . ?
P4 C23A H23E 109.5 . . ?
P4 C23A H23F 109.5 . . ?
H23D C23A H23E 109.5 . . ?
H23D C23A H23F 109.5 . . ?
H23E C23A H23F 109.5 . . ?
P4 C24 H24A 109.5 . . ?
P4 C24 H24B 109.5 . . ?
P4 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
P4 C24A H24D 109.5 . . ?
P4 C24A H24E 109.5 . . ?
P4 C24A H24F 109.5 . . ?
H24D C24A H24E 109.5 . . ?
H24D C24A H24F 109.5 . . ?
H24E C24A H24F 109.5 . . ?
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
Mn1 P1 2.235(2) . ?
Mn1 P2 2.249(2) . ?
Mn1 P3 2.255(2) . ?
Mn1 P4 2.250(2) . ?
Mn1 Si1 2.457(3) . ?
Mn1 Si1A 2.470(6) . ?
Mn1 N1 1.818(7) . ?
P1 C13 1.836(5) . ?
P1 C14 1.843(5) . ?
P1 C15 1.855(5) . ?
P2 C16 1.855(6) . ?
P2 C16A 1.854(7) . ?
P2 C17 1.847(5) . ?
P2 C17A 1.842(6) . ?
P2 C18 1.851(6) . ?
P2 C18A 1.836(6) . ?
P3 C19 1.844(5) . ?
P3 C20 1.848(5) . ?
P3 C21 1.853(5) . ?
P4 C22 1.853(6) . ?
P4 C22A 1.854(7) . ?
P4 C23 1.842(6) . ?
P4 C23A 1.847(6) . ?
P4 C24 1.831(5) . ?
P4 C24A 1.844(6) . ?
Si1 H1 1.38(9) . ?
Si1 C1 1.931(7) . ?
Si1 C7 1.933(7) . ?
Si1A C1A 1.931(8) . ?
Si1A C7A 1.931(8) . ?
N1 N2 1.139(9) . ?
C1 C2 1.400(7) . ?
C1 C6 1.400(7) . ?
C1A C2A 1.400(8) . ?
C1A C6A 1.399(8) . ?
C2 H2 0.9500 . ?
C2 C3 1.393(9) . ?
C2A H2A 0.9500 . ?
C2A C3A 1.391(9) . ?
C3 H3 0.9500 . ?
C3 C4 1.374(8) . ?
C3A H3A 0.9500 . ?
C3A C4A 1.372(9) . ?
C4 H4 0.9500 . ?
C4 C5 1.370(8) . ?
C4A H4A 0.9500 . ?
C4A C5A 1.372(9) . ?
C5 H5 0.9500 . ?
C5 C6 1.390(9) . ?
C5A H5A 0.9500 . ?
C5A C6A 1.390(9) . ?
C6 H6 0.9500 . ?
C6A H6A 0.9500 . ?
C7 C8 1.398(7) . ?
C7 C12 1.401(7) . ?
C7A C8A 1.398(8) . ?
C7A C12A 1.399(8) . ?
C8 H8 0.9500 . ?
C8 C9 1.391(9) . ?
C8A H8A 0.9500 . ?
C8A C9A 1.391(9) . ?
C9 H9 0.9500 . ?
C9 C10 1.373(8) . ?
C9A H9A 0.9500 . ?
C9A C10A 1.372(9) . ?
C10 H10 0.9500 . ?
C10 C11 1.369(8) . ?
C10A H10A 0.9500 . ?
C10A C11A 1.372(9) . ?
C11 H11 0.9500 . ?
C11 C12 1.393(9) . ?
C11A H11A 0.9500 . ?
C11A C12A 1.391(9) . ?
C12 H12 0.9500 . ?
C12A H12A 0.9500 . ?
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 0.9900 . ?
C15 H15B 0.9900 . ?
C15 H15C 0.9900 . ?
C15 H15D 0.9900 . ?
C15 C16 1.537(9) . ?
C15 C16A 1.537(10) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16A H16C 0.9900 . ?
C16A H16D 0.9900 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C17A H17D 0.9800 . ?
C17A H17E 0.9800 . ?
C17A H17F 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C18A H18D 0.9800 . ?
C18A H18E 0.9800 . ?
C18A H18F 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 0.9900 . ?
C21 H21B 0.9900 . ?
C21 H21C 0.9900 . ?
C21 H21D 0.9900 . ?
C21 C22 1.538(9) . ?
C21 C22A 1.538(10) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22A H22C 0.9900 . ?
C22A H22D 0.9900 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C23A H23D 0.9800 . ?
C23A H23E 0.9800 . ?
C23A H23F 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C24A H24D 0.9800 . ?
C24A H24E 0.9800 . ?
C24A H24F 0.9800 . ?
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
Mn1 P1 C15 C16 34.2(9) . . . . ?
Mn1 P1 C15 C16A 45.4(18) . . . . ?
Mn1 P2 C16 C15 7.0(13) . . . . ?
Mn1 P2 C16A C15 30(4) . . . . ?
Mn1 P3 C21 C22 40.8(7) . . . . ?
Mn1 P3 C21 C22A 27(2) . . . . ?
Mn1 P4 C22 C21 37.7(10) . . . . ?
Mn1 P4 C22A C21 10(3) . . . . ?
P1 C15 C16 P2 -25.1(13) . . . . ?
P1 C15 C16A P2 -46(4) . . . . ?
P3 C21 C22 P4 -48.9(10) . . . . ?
P3 C21 C22A P4 -23(3) . . . . ?
Si1 C1 C2 C3 177.8(14) . . . . ?
Si1 C1 C6 C5 -177.3(15) . . . . ?
Si1 C7 C8 C9 179.5(16) . . . . ?
Si1 C7 C12 C11 180.0(11) . . . . ?
Si1A C1A C2A C3A -178(3) . . . . ?
Si1A C1A C6A C5A 179(4) . . . . ?
Si1A C7A C8A C9A -175(3) . . . . ?
Si1A C7A C12A C11A 176(3) . . . . ?
C1 C2 C3 C4 1(2) . . . . ?
C1A C2A C3A C4A -5(5) . . . . ?
C2 C1 C6 C5 3(3) . . . . ?
C2 C3 C4 C5 1.3(19) . . . . ?
C2A C1A C6A C5A -4(7) . . . . ?
C2A C3A C4A C5A 5(4) . . . . ?
C3 C4 C5 C6 -1(2) . . . . ?
C3A C4A C5A C6A -4(4) . . . . ?
C4 C5 C6 C1 -2(3) . . . . ?
C4A C5A C6A C1A 4(6) . . . . ?
C6 C1 C2 C3 -3(3) . . . . ?
C6A C1A C2A C3A 4(7) . . . . ?
C7 C8 C9 C10 -1(3) . . . . ?
C7A C8A C9A C10A -2(6) . . . . ?
C8 C7 C12 C11 -3(3) . . . . ?
C8 C9 C10 C11 0(2) . . . . ?
C8A C7A C12A C11A -3(6) . . . . ?
C8A C9A C10A C11A 0(5) . . . . ?
C9 C10 C11 C12 0(2) . . . . ?
C9A C10A C11A C12A 0(4) . . . . ?
C10 C11 C12 C7 2(2) . . . . ?
C10A C11A C12A C7A 2(5) . . . . ?
C12 C7 C8 C9 3(3) . . . . ?
C12A C7A C8A C9A 4(7) . . . . ?
C13 P1 C15 C16 171.5(8) . . . . ?
C13 P1 C15 C16A -177.3(18) . . . . ?
C14 P1 C15 C16 -87.6(9) . . . . ?
C14 P1 C15 C16A -76.4(18) . . . . ?
C17 P2 C16 C15 -133.2(11) . . . . ?
C17A P2 C16A C15 -96(3) . . . . ?
C18 P2 C16 C15 126.5(11) . . . . ?
C18A P2 C16A C15 163(3) . . . . ?
C19 P3 C21 C22 178.6(6) . . . . ?
C19 P3 C21 C22A 164(2) . . . . ?
C20 P3 C21 C22 -81.4(7) . . . . ?
C20 P3 C21 C22A -96(2) . . . . ?
C23 P4 C22 C21 -92.3(9) . . . . ?
C23A P4 C22A C21 126(3) . . . . ?
C24 P4 C22 C21 166.0(9) . . . . ?
C24A P4 C22A C21 -136(3) . . . . ?
