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#$Date: 2025-07-06 19:13:31 +0300 (Sun, 06 Jul 2025) $
#$Revision: 300846 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/88/7718860.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_7718860
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         'C33 H52 Ge Mn N P4, 0.5(C7 H8)'
_chemical_formula_sum            'C36.5 H56 Ge Mn N P4'
_chemical_formula_weight         760.23
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2024-08-12
_audit_creation_method
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_audit_update_record
;
2025-05-01 deposited with the CCDC.	2025-06-03 downloaded from the CCDC.
;
_cell_angle_alpha                93.122(18)
_cell_angle_beta                 98.196(19)
_cell_angle_gamma                101.38(3)
_cell_formula_units_Z            4
_cell_length_a                   10.896(4)
_cell_length_b                   15.146(4)
_cell_length_c                   23.533(7)
_cell_measurement_reflns_used    2720
_cell_measurement_temperature    100
_cell_measurement_theta_max      24.035
_cell_measurement_theta_min      2.321
_cell_volume                     3755(2)
_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 0.994
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_details
;
440 frames, detector distance = 100.0 mm
;
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS II'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_collimation    '0.5 mm diameter, monocapillary'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0474
_diffrn_reflns_av_unetI/netI     0.0978
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            44723
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.622
_diffrn_reflns_theta_min         1.694
_diffrn_source_current           40.0
_diffrn_source_power             2.0
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.333
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.6265
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0402 before and 0.0343 after correction.
The Ratio of minimum to maximum transmission is 0.8399.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.345
_exptl_crystal_description       block
_exptl_crystal_F_000             1596
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.408
_refine_diff_density_min         -1.020
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     804
_refine_ls_number_reflns         20889
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0825
_refine_ls_R_factor_gt           0.0541
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0473P)²+2.3581P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1359
_refine_ls_wR_factor_ref         0.1493
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14995
_reflns_number_total             20889
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5dt01025j3.cif
_cod_data_source_block           MnGeHPh2_CNXyl_cis
_cod_depositor_comments
'Adding full bibliography for 7718858--7718867.cif.'
_cod_original_formula_sum        'C36.50 H56 Ge Mn N P4'
_cod_database_code               7718860
_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   0.878
_shelx_estimated_absorpt_t_min   0.555
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All Ge(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C30B-C31B \\sim C30A-C31A
 with sigma of 0.002
 C30A-P3A \\sim P3A-C30B \\sim C31B-P4A \\sim P4A-C31A
 with sigma of 0.002
3. Uiso/Uaniso restraints and constraints
Uanis(C30A) = Uanis(C31A)
Uanis(C30B) = Uanis(C31B)
Uanis(C37) = Uanis(C40)
Uanis(C36) = Uanis(C39)
4. Others
 Sof(C30A)=Sof(H30C)=Sof(H30D)=Sof(C31A)=Sof(H31C)=Sof(H31D)=1-FVAR(1)
 Sof(C30B)=Sof(H30A)=Sof(H30B)=Sof(C31B)=Sof(H31A)=Sof(H31B)=FVAR(1)
5.a Secondary CH2 refined with riding coordinates:
 C24(H24C,H24D), C25(H25C,H25D), C30(H30E,H30F), C31(H31E,H31F), C24A(H24A,
 H24B), C25A(H25A,H25B), C30B(H30A,H30B), C30A(H30C,H30D), C31B(H31A,H31B),
 C31A(H31C,H31D)
5.b Me refined with riding coordinates:
 C9(H9A,H9B,H9C), C8A(H8AA,H8AB,H8AC)
5.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C11(H11), C12(H12), C13(H13), C14(H14), C15(H15),
 C17(H17), C18(H18), C19(H19), C20(H20), C21(H21), C4A(H4A), C5A(H5A), C6A(H6A),
  C11A(H11A), C12A(H12A), C13A(H13A), C14A(H14A), C15A(H15A), C17A(H17A),
 C18A(H18A), C19A(H19A), C20A(H20A), C21A(H21A), C36(H36), C37(H37), C38(H38),
 C39(H39), C40(H40)
5.d Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C22(H22D,H22E,H22F), C23(H23D,H23E,H23F), C26(H26D,H26E,
 H26F), C27(H27D,H27E,H27F), C28(H28D,H28E,H28F), C29(H29D,H29E,H29F), C32(H32D,
 H32E,H32F), C33(H33D,H33E,H33F), C9A(H9AA,H9AB,H9AC), C22A(H22A,H22B,H22C),
 C23A(H23A,H23B,H23C), C26A(H26A,H26B,H26C), C27A(H27A,H27B,H27C), C28A(H28A,
 H28B,H28C), C29A(H29A,H29B,H29C), C32A(H32A,H32B,H32C), C33A(H33A,H33B,H33C),
 C34(H34A,H34B,H34C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
Ge1 Ge 0.41072(3) 0.81931(2) 0.92378(2) 0.01735(7) Uani 1 1 d . . . . .
H1 H 0.477(3) 0.916(2) 0.9614(13) 0.021 Uiso 1 1 d . U . . .
Mn1 Mn 0.17552(4) 0.78530(3) 0.90784(2) 0.01612(9) Uani 1 1 d . . . . .
P1 P 0.16726(7) 0.64222(5) 0.93016(4) 0.02376(16) Uani 1 1 d . . . . .
P2 P -0.03762(7) 0.74355(6) 0.89009(4) 0.02480(16) Uani 1 1 d . . . . .
P3 P 0.18834(7) 0.84662(6) 1.00016(3) 0.02364(16) Uani 1 1 d . . . . .
P4 P 0.17221(7) 0.92658(5) 0.88547(3) 0.02093(15) Uani 1 1 d . . . . .
N1 N 0.1856(2) 0.73992(19) 0.78261(11) 0.0270(5) Uani 1 1 d . . . . .
C1 C 0.1836(2) 0.75556(18) 0.83264(12) 0.0179(5) Uani 1 1 d . . . . .
C2 C 0.1888(3) 0.7105(2) 0.72627(12) 0.0203(5) Uani 1 1 d . . . . .
C3 C 0.2429(3) 0.7727(2) 0.68965(13) 0.0244(6) Uani 1 1 d . . . . .
C4 C 0.2467(3) 0.7419(2) 0.63335(14) 0.0307(7) Uani 1 1 d . . . . .
H4 H 0.282059 0.783241 0.608124 0.037 Uiso 1 1 calc R U . . .
C5 C 0.2004(3) 0.6527(2) 0.61341(13) 0.0302(7) Uani 1 1 d . . . . .
H5 H 0.205175 0.632581 0.575004 0.036 Uiso 1 1 calc R U . . .
C6 C 0.1466(3) 0.5924(2) 0.64961(13) 0.0261(6) Uani 1 1 d . . . . .
H6 H 0.113952 0.531121 0.635439 0.031 Uiso 1 1 calc R U . . .
C7 C 0.1394(3) 0.6197(2) 0.70628(13) 0.0230(6) Uani 1 1 d . . . . .
C8 C 0.2933(3) 0.8705(2) 0.71126(15) 0.0318(7) Uani 1 1 d . . . . .
H8A H 0.224182 0.896882 0.722491 0.048 Uiso 1 1 calc R U . . .
H8B H 0.328700 0.903512 0.680666 0.048 Uiso 1 1 calc R U . . .
H8C H 0.359624 0.874590 0.744693 0.048 Uiso 1 1 calc R U . . .
C9 C 0.0781(3) 0.5519(2) 0.74387(15) 0.0309(7) Uani 1 1 d . . . . .
H9A H 0.080634 0.581615 0.782193 0.046 Uiso 1 1 calc R U . . .
H9B H -0.010277 0.527620 0.726502 0.046 Uiso 1 1 calc R U . . .
H9C H 0.123981 0.502466 0.747307 0.046 Uiso 1 1 calc R U . . .
C10 C 0.5026(2) 0.83484(19) 0.85594(12) 0.0188(5) Uani 1 1 d . . . . .
C11 C 0.4928(3) 0.7646(2) 0.81320(13) 0.0244(6) Uani 1 1 d . . . . .
H11 H 0.437527 0.708378 0.815389 0.029 Uiso 1 1 calc R U . . .
C12 C 0.5618(3) 0.7748(2) 0.76746(14) 0.0283(6) Uani 1 1 d . . . . .
H12 H 0.553650 0.725792 0.739296 0.034 Uiso 1 1 calc R U . . .
C13 C 0.6430(3) 0.8573(2) 0.76313(14) 0.0303(7) Uani 1 1 d . . . . .
H13 H 0.690116 0.864866 0.732095 0.036 Uiso 1 1 calc R U . . .
C14 C 0.6537(3) 0.9276(2) 0.80470(14) 0.0281(7) Uani 1 1 d . . . . .
H14 H 0.708268 0.983960 0.802103 0.034 Uiso 1 1 calc R U . . .
C15 C 0.5852(3) 0.9165(2) 0.85041(13) 0.0233(6) Uani 1 1 d . . . . .
H15 H 0.594705 0.965614 0.878642 0.028 Uiso 1 1 calc R U . . .
C16 C 0.5241(3) 0.7484(2) 0.96850(13) 0.0226(6) Uani 1 1 d . . . . .
C17 C 0.5446(3) 0.6655(2) 0.94729(15) 0.0293(7) Uani 1 1 d . . . . .
H17 H 0.505469 0.641211 0.909506 0.035 Uiso 1 1 calc R U . . .
C18 C 0.6218(3) 0.6173(2) 0.98055(17) 0.0373(8) Uani 1 1 d . . . . .
H18 H 0.631625 0.559979 0.965713 0.045 Uiso 1 1 calc R U . . .
C19 C 0.6836(3) 0.6530(3) 1.03489(17) 0.0411(9) Uani 1 1 d . . . . .
H19 H 0.735580 0.620294 1.057476 0.049 Uiso 1 1 calc R U . . .
C20 C 0.6691(3) 0.7359(3) 1.05579(15) 0.0377(8) Uani 1 1 d . . . . .
H20 H 0.712275 0.761070 1.092821 0.045 Uiso 1 1 calc R U . . .
C21 C 0.5915(3) 0.7836(2) 1.02321(14) 0.0294(7) Uani 1 1 d . . . . .
H21 H 0.583792 0.841322 1.038325 0.035 Uiso 1 1 calc R U . . .
C22 C 0.2439(3) 0.5658(2) 0.89064(15) 0.0300(7) Uani 1 1 d . . . . .
H22D H 0.263783 0.591198 0.854810 0.045 Uiso 1 1 calc R U . . .
H22E H 0.186436 0.506622 0.881573 0.045 Uiso 1 1 calc R U . . .
H22F H 0.322269 0.558877 0.914490 0.045 Uiso 1 1 calc R U . . .
C23 C 0.2164(4) 0.6119(2) 1.00366(15) 0.0351(8) Uani 1 1 d . . . . .
H23D H 0.306598 0.638050 1.016092 0.053 Uiso 1 1 calc R U . . .
H23E H 0.202036 0.545993 1.003776 0.053 Uiso 1 1 calc R U . . .
H23F H 0.166584 0.635637 1.030131 0.053 Uiso 1 1 calc R U . . .
C24 C 0.0021(3) 0.5753(2) 0.91358(18) 0.0388(8) Uani 1 1 d . . . . .
H24C H -0.015497 0.549423 0.872993 0.047 Uiso 1 1 calc R U . . .
H24D H -0.008639 0.524871 0.938664 0.047 Uiso 1 1 calc R U . . .
C25 C -0.0896(3) 0.6355(3) 0.92333(19) 0.0413(9) Uani 1 1 d . . . . .
H25C H -0.089138 0.647931 0.965116 0.050 Uiso 1 1 calc R U . . .
H25D H -0.176663 0.605679 0.905248 0.050 Uiso 1 1 calc R U . . .
C26 C -0.1129(3) 0.7110(3) 0.81481(15) 0.0355(8) Uani 1 1 d . . . . .
H26D H -0.097926 0.763537 0.792257 0.053 Uiso 1 1 calc R U . . .
H26E H -0.204314 0.689450 0.813360 0.053 Uiso 1 1 calc R U . . .
H26F H -0.076614 0.662784 0.798731 0.053 Uiso 1 1 calc R U . . .
C27 C -0.1560(3) 0.8052(3) 0.91205(15) 0.0330(7) Uani 1 1 d . . . . .
H27D H -0.143812 0.814653 0.954178 0.050 Uiso 1 1 calc R U . . .
H27E H -0.241498 0.769834 0.897932 0.050 Uiso 1 1 calc R U . . .
H27F H -0.145541 0.863874 0.895682 0.050 Uiso 1 1 calc R U . . .
C28 C 0.3151(3) 0.8415(3) 1.05877(14) 0.0345(8) Uani 1 1 d . . . . .
H28D H 0.317511 0.778142 1.064343 0.052 Uiso 1 1 calc R U . . .
H28E H 0.299416 0.871141 1.094298 0.052 Uiso 1 1 calc R U . . .
H28F H 0.396422 0.872322 1.049152 0.052 Uiso 1 1 calc R U . . .
C29 C 0.0551(3) 0.8211(3) 1.04092(15) 0.0357(8) Uani 1 1 d . . . . .
H29D H -0.019851 0.837760 1.019645 0.054 Uiso 1 1 calc R U . . .
H29E H 0.077804 0.855526 1.078707 0.054 Uiso 1 1 calc R U . . .
H29F H 0.036454 0.756263 1.046087 0.054 Uiso 1 1 calc R U . . .
C30 C 0.2106(3) 0.9714(2) 1.00065(14) 0.0292(7) Uani 1 1 d . . . . .
H30E H 0.179611 0.995712 1.034560 0.035 Uiso 1 1 calc R U . . .
H30F H 0.301865 0.998701 1.003392 0.035 Uiso 1 1 calc R U . . .
C31 C 0.1377(3) 0.9959(2) 0.94556(14) 0.0269(6) Uani 1 1 d . . . . .
H31E H 0.165132 1.060942 0.940631 0.032 Uiso 1 1 calc R U . . .
H31F H 0.045602 0.982928 0.947101 0.032 Uiso 1 1 calc R U . . .
C32 C 0.3126(3) 1.0009(2) 0.86738(14) 0.0267(6) Uani 1 1 d . . . . .
H32D H 0.382596 1.007695 0.899532 0.040 Uiso 1 1 calc R U . . .
H32E H 0.293605 1.060236 0.860153 0.040 Uiso 1 1 calc R U . . .
H32F H 0.336870 0.974495 0.832774 0.040 Uiso 1 1 calc R U . . .
C33 C 0.0577(3) 0.9486(2) 0.82508(15) 0.0330(7) Uani 1 1 d . . . . .
H33D H 0.072990 0.920340 0.789035 0.050 Uiso 1 1 calc R U . . .
H33E H 0.067818 1.013993 0.822588 0.050 Uiso 1 1 calc R U . . .
H33F H -0.028708 0.923324 0.831534 0.050 Uiso 1 1 calc R U . . .
Ge1A Ge 0.29043(3) 0.65084(2) 0.31334(2) 0.01948(8) Uani 1 1 d . . . . .
H1A H 0.230(3) 0.539(2) 0.2952(14) 0.023 Uiso 1 1 d . U . . .
Mn1A Mn 0.52356(4) 0.68725(3) 0.32337(2) 0.01811(9) Uani 1 1 d . . . . .
P1A P 0.52730(7) 0.56266(5) 0.37086(4) 0.02384(16) Uani 1 1 d . . . . .
P2A P 0.51889(9) 0.59148(6) 0.24390(4) 0.03111(19) Uani 1 1 d . . . . .
P3A P 0.73496(7) 0.73468(6) 0.33570(4) 0.0327(2) Uani 1 1 d D . . . .
P4A P 0.52089(7) 0.80881(6) 0.27347(3) 0.02533(17) Uani 1 1 d D . . . .
N1A N 0.5346(2) 0.80015(18) 0.43455(11) 0.0244(5) Uani 1 1 d . . . . .
C1A C 0.5266(2) 0.75405(19) 0.39078(12) 0.0191(5) Uani 1 1 d . . . . .
C2A C 0.5648(3) 0.8436(2) 0.48990(12) 0.0220(6) Uani 1 1 d . . . . .
C3A C 0.6273(3) 0.9348(2) 0.49851(13) 0.0264(6) Uani 1 1 d . . . . .
C4A C 0.6580(4) 0.9752(2) 0.55422(15) 0.0360(8) Uani 1 1 d . . . . .
H4A H 0.701285 1.036610 0.560775 0.043 Uiso 1 1 calc R U . . .
C5A C 0.6268(4) 0.9277(3) 0.60077(15) 0.0394(8) Uani 1 1 d . . . . .
H5A H 0.649211 0.956614 0.638740 0.047 Uiso 1 1 calc R U . . .
C6A C 0.5631(3) 0.8385(2) 0.59184(14) 0.0329(7) Uani 1 1 d . . . . .
H6A H 0.541294 0.806700 0.623872 0.040 Uiso 1 1 calc R U . . .
C7A C 0.5302(3) 0.7945(2) 0.53652(13) 0.0247(6) Uani 1 1 d . . . . .
C8A C 0.6626(3) 0.9889(2) 0.44901(15) 0.0340(7) Uani 1 1 d . . . . .
H8AA H 0.634346 0.950722 0.412695 0.051 Uiso 1 1 calc R U . . .
H8AB H 0.621498 1.040948 0.447961 0.051 Uiso 1 1 calc R U . . .
H8AC H 0.754757 1.010167 0.454268 0.051 Uiso 1 1 calc R U . . .
C9A C 0.4643(3) 0.6978(2) 0.52652(14) 0.0301(7) Uani 1 1 d . . . . .
H9AA H 0.386513 0.692018 0.498732 0.045 Uiso 1 1 calc R U . . .
H9AB H 0.442957 0.675684 0.562980 0.045 Uiso 1 1 calc R U . . .
H9AC H 0.520080 0.662183 0.511271 0.045 Uiso 1 1 calc R U . . .
C10A C 0.2089(3) 0.6698(2) 0.38240(12) 0.0210(6) Uani 1 1 d . . . . .
C11A C 0.2234(3) 0.7544(2) 0.41189(13) 0.0270(6) Uani 1 1 d . . . . .
H11A H 0.277937 0.804756 0.400048 0.032 Uiso 1 1 calc R U . . .
C12A C 0.1603(3) 0.7676(3) 0.45836(14) 0.0323(7) Uani 1 1 d . . . . .
H12A H 0.171279 0.826297 0.477244 0.039 Uiso 1 1 calc R U . . .
C13A C 0.0820(3) 0.6954(3) 0.47681(14) 0.0342(8) Uani 1 1 d . . . . .
H13A H 0.039178 0.704101 0.508466 0.041 Uiso 1 1 calc R U . . .
C14A C 0.0661(3) 0.6097(2) 0.44878(14) 0.0313(7) Uani 1 1 d . . . . .
H14A H 0.012659 0.559577 0.461395 0.038 Uiso 1 1 calc R U . . .
C15A C 0.1284(3) 0.5975(2) 0.40229(13) 0.0237(6) Uani 1 1 d . . . . .
H15A H 0.116356 0.538702 0.383389 0.028 Uiso 1 1 calc R U . . .
C16A C 0.1687(3) 0.7001(2) 0.25688(13) 0.0267(6) Uani 1 1 d . . . . .
C17A C 0.1038(3) 0.6490(3) 0.20628(14) 0.0356(8) Uani 1 1 d . . . . .
H17A H 0.119073 0.590436 0.198000 0.043 Uiso 1 1 calc R U . . .
C18A C 0.0176(4) 0.6815(3) 0.16780(17) 0.0488(11) Uani 1 1 d . . . . .
H18A H -0.025069 0.645072 0.133888 0.059 Uiso 1 1 calc R U . . .
C19A C -0.0059(4) 0.7663(3) 0.17873(18) 0.0528(12) Uani 1 1 d . . . . .
H19A H -0.064310 0.788678 0.152310 0.063 Uiso 1 1 calc R U . . .
C20A C 0.0558(4) 0.8185(3) 0.22825(17) 0.0469(10) Uani 1 1 d . . . . .
H20A H 0.040949 0.877418 0.235871 0.056 Uiso 1 1 calc R U . . .
C21A C 0.1402(3) 0.7844(3) 0.26709(15) 0.0335(7) Uani 1 1 d . . . . .
H21A H 0.179590 0.820131 0.301749 0.040 Uiso 1 1 calc R U . . .
C22A C 0.4013(3) 0.5146(2) 0.41154(15) 0.0314(7) Uani 1 1 d . . . . .
H22A H 0.391856 0.560667 0.440577 0.047 Uiso 1 1 calc R U . . .
H22B H 0.423794 0.462823 0.430644 0.047 Uiso 1 1 calc R U . . .
H22C H 0.321273 0.494810 0.385080 0.047 Uiso 1 1 calc R U . . .
C23A C 0.6633(3) 0.5584(2) 0.42610(14) 0.0279(6) Uani 1 1 d . . . . .
H23A H 0.741535 0.570962 0.409247 0.042 Uiso 1 1 calc R U . . .
H23B H 0.652466 0.498166 0.440341 0.042 Uiso 1 1 calc R U . . .
H23C H 0.668392 0.603779 0.458130 0.042 Uiso 1 1 calc R U . . .
C24A C 0.5205(4) 0.4619(2) 0.32178(16) 0.0373(8) Uani 1 1 d . . . . .
H24A H 0.567837 0.420345 0.341978 0.045 Uiso 1 1 calc R U . . .
H24B H 0.431233 0.429745 0.310389 0.045 Uiso 1 1 calc R U . . .
C25A C 0.5757(4) 0.4879(3) 0.26967(19) 0.0470(9) Uani 1 1 d . . . . .
H25A H 0.549175 0.437493 0.239041 0.056 Uiso 1 1 calc R U . . .
H25B H 0.669380 0.501332 0.278726 0.056 Uiso 1 1 calc R U . . .
C26A C 0.3743(4) 0.5399(3) 0.19636(19) 0.0566(12) Uani 1 1 d . . . . .
H26A H 0.310405 0.512725 0.219176 0.085 Uiso 1 1 calc R U . . .
H26B H 0.391100 0.492972 0.169950 0.085 Uiso 1 1 calc R U . . .
H26C H 0.343008 0.586005 0.174143 0.085 Uiso 1 1 calc R U . . .
C27A C 0.6221(4) 0.6124(3) 0.18897(15) 0.0408(9) Uani 1 1 d . . . . .
H27A H 0.592659 0.655203 0.163199 0.061 Uiso 1 1 calc R U . . .
H27B H 0.619824 0.555428 0.166634 0.061 Uiso 1 1 calc R U . . .
H27C H 0.709202 0.637843 0.207700 0.061 Uiso 1 1 calc R U . . .
C28A C 0.8184(3) 0.7815(3) 0.4074(2) 0.0633(15) Uani 1 1 d . . . A 1
H28A H 0.774404 0.825595 0.423038 0.095 Uiso 1 1 calc R U . A 1
H28B H 0.905426 0.811437 0.404556 0.095 Uiso 1 1 calc R U . A 1
H28C H 0.820039 0.732683 0.432950 0.095 Uiso 1 1 calc R U . A 1
C29A C 0.8530(3) 0.6704(2) 0.31723(16) 0.0338(8) Uani 1 1 d . . . B 1
H29A H 0.840099 0.612716 0.334782 0.051 Uiso 1 1 calc R U . B 1
H29B H 0.938451 0.705369 0.331825 0.051 Uiso 1 1 calc R U . B 1
H29C H 0.843119 0.658859 0.275278 0.051 Uiso 1 1 calc R U . B 1
C30B C 0.7793(6) 0.8513(3) 0.3121(3) 0.0216(14) Uani 0.427(9) 1 d D . P A 2
H30A H 0.767974 0.897703 0.341091 0.026 Uiso 0.427(9) 1 calc R U P A 2
H30B H 0.868023 0.864707 0.304680 0.026 Uiso 0.427(9) 1 calc R U P A 2
C30A C 0.7751(5) 0.8219(4) 0.2837(3) 0.0306(13) Uani 0.573(9) 1 d D . P A 1
H30C H 0.862454 0.857203 0.296271 0.037 Uiso 0.573(9) 1 calc R U P A 1
H30D H 0.771078 0.791706 0.244908 0.037 Uiso 0.573(9) 1 calc R U P A 1
C31B C 0.6856(3) 0.8460(5) 0.2567(3) 0.0216(14) Uani 0.427(9) 1 d D . P A 2
H31A H 0.702440 0.802200 0.227472 0.026 Uiso 0.427(9) 1 calc R U P A 2
H31B H 0.694853 0.905859 0.241021 0.026 Uiso 0.427(9) 1 calc R U P A 2
C31A C 0.6817(3) 0.8850(3) 0.2813(3) 0.0306(13) Uani 0.573(9) 1 d D . P A 1
H31C H 0.688385 0.921891 0.247977 0.037 Uiso 0.573(9) 1 calc R U P A 1
H31D H 0.698237 0.925904 0.317013 0.037 Uiso 0.573(9) 1 calc R U P A 1
C32A C 0.4579(5) 0.9031(2) 0.30119(16) 0.0464(10) Uani 1 1 d . . . C 1
H32A H 0.365384 0.885331 0.297375 0.070 Uiso 1 1 calc R U . C 1
H32B H 0.480554 0.955348 0.279154 0.070 Uiso 1 1 calc R U . C 1
H32C H 0.493902 0.919113 0.341897 0.070 Uiso 1 1 calc R U . C 1
C33A C 0.4485(4) 0.8044(3) 0.19780(14) 0.0431(9) Uani 1 1 d . . . D 1
H33A H 0.481160 0.761189 0.174654 0.065 Uiso 1 1 calc R U . D 1
H33B H 0.469384 0.864485 0.183795 0.065 Uiso 1 1 calc R U . D 1
H33C H 0.356274 0.785234 0.194508 0.065 Uiso 1 1 calc R U . D 1
C34 C 0.8316(6) 0.6968(4) 0.6357(4) 0.109(3) Uani 1 1 d . . . . .
H34A H 0.823140 0.655834 0.601015 0.163 Uiso 1 1 calc R U . . .
H34B H 0.747907 0.695219 0.646753 0.163 Uiso 1 1 calc R U . . .
H34C H 0.886907 0.677660 0.667177 0.163 Uiso 1 1 calc R U . . .
C35 C 0.8876(4) 0.7902(3) 0.6238(2) 0.0627(13) Uani 1 1 d . . . . .
C36 C 0.8886(5) 0.8109(4) 0.5693(2) 0.0679(10) Uani 1 1 d . . . . .
H36 H 0.849175 0.766704 0.538510 0.081 Uiso 1 1 calc R U . . .
C37 C 0.9447(5) 0.8933(4) 0.5577(2) 0.0729(11) Uani 1 1 d . . . . .
H37 H 0.950668 0.904441 0.518742 0.087 Uiso 1 1 calc R U . . .
C38 C 0.9934(4) 0.9618(3) 0.5996(2) 0.0638(13) Uani 1 1 d . . . . .
H38 H 1.032522 1.019719 0.590037 0.077 Uiso 1 1 calc R U . . .
C39 C 0.9851(5) 0.9455(4) 0.6567(2) 0.0679(10) Uani 1 1 d . . . . .
H39 H 1.013138 0.992348 0.687075 0.081 Uiso 1 1 calc R U . . .
C40 C 0.9317(5) 0.8542(4) 0.6677(2) 0.0729(11) Uani 1 1 d . . . . .
H40 H 0.927671 0.839228 0.706171 0.087 Uiso 1 1 calc R U . . .
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'
Ge Ge 0.1547 1.8001 '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'
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
Mn1 Ge1 H1 114.8(11) . . ?
C10 Ge1 H1 98.9(11) . . ?
C10 Ge1 Mn1 119.38(8) . . ?
C10 Ge1 C16 97.34(11) . . ?
C16 Ge1 H1 94.3(10) . . ?
C16 Ge1 Mn1 126.40(8) . . ?
P1 Mn1 Ge1 92.08(3) . . ?
P1 Mn1 P2 84.41(4) . . ?
P1 Mn1 P3 96.27(4) . . ?
P2 Mn1 Ge1 175.44(3) . . ?
P2 Mn1 P3 96.14(4) . . ?
P3 Mn1 Ge1 87.11(3) . . ?
P4 Mn1 Ge1 91.04(3) . . ?
P4 Mn1 P1 176.85(3) . . ?
P4 Mn1 P2 92.49(4) . . ?
P4 Mn1 P3 83.48(4) . . ?
C1 Mn1 Ge1 86.83(9) . . ?
C1 Mn1 P1 92.20(9) . . ?
C1 Mn1 P2 90.40(9) . . ?
C1 Mn1 P3 169.76(9) . . ?
C1 Mn1 P4 88.38(9) . . ?
C22 P1 Mn1 121.03(11) . . ?
C22 P1 C23 98.15(15) . . ?
C22 P1 C24 98.05(17) . . ?
C23 P1 Mn1 123.28(12) . . ?
C23 P1 C24 101.26(18) . . ?
C24 P1 Mn1 110.74(12) . . ?
C25 P2 Mn1 109.62(12) . . ?
C26 P2 Mn1 117.59(12) . . ?
C26 P2 C25 100.42(19) . . ?
C26 P2 C27 97.65(16) . . ?
C27 P2 Mn1 128.43(13) . . ?
C27 P2 C25 98.53(17) . . ?
C28 P3 Mn1 124.23(11) . . ?
C28 P3 C29 97.50(18) . . ?
C28 P3 C30 98.49(17) . . ?
C29 P3 Mn1 121.85(13) . . ?
C29 P3 C30 100.83(16) . . ?
C30 P3 Mn1 109.49(11) . . ?
C31 P4 Mn1 111.74(11) . . ?
C31 P4 C33 101.47(16) . . ?
C32 P4 Mn1 121.42(10) . . ?
C32 P4 C31 100.66(15) . . ?
C32 P4 C33 97.21(16) . . ?
C33 P4 Mn1 120.80(12) . . ?
C1 N1 C2 172.5(3) . . ?
N1 C1 Mn1 176.3(2) . . ?
N1 C2 C3 119.1(3) . . ?
N1 C2 C7 120.0(3) . . ?
C7 C2 C3 120.9(3) . . ?
C2 C3 C8 120.4(3) . . ?
C4 C3 C2 118.5(3) . . ?
C4 C3 C8 121.2(3) . . ?
C3 C4 H4 119.4 . . ?
C5 C4 C3 121.3(3) . . ?
C5 C4 H4 119.4 . . ?
C4 C5 H5 120.2 . . ?
C4 C5 C6 119.7(3) . . ?
C6 C5 H5 120.2 . . ?
C5 C6 H6 119.2 . . ?
C5 C6 C7 121.5(3) . . ?
C7 C6 H6 119.2 . . ?
C2 C7 C9 122.2(3) . . ?
C6 C7 C2 118.2(3) . . ?
C6 C7 C9 119.6(3) . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 Ge1 122.4(2) . . ?
C11 C10 C15 116.6(3) . . ?
C15 C10 Ge1 121.0(2) . . ?
C10 C11 H11 119.0 . . ?
C12 C11 C10 122.0(3) . . ?
C12 C11 H11 119.0 . . ?
C11 C12 H12 120.0 . . ?
C11 C12 C13 120.0(3) . . ?
C13 C12 H12 120.0 . . ?
C12 C13 H13 120.5 . . ?
C14 C13 C12 119.0(3) . . ?
C14 C13 H13 120.5 . . ?
C13 C14 H14 119.7 . . ?
C13 C14 C15 120.6(3) . . ?
C15 C14 H14 119.7 . . ?
C10 C15 H15 119.0 . . ?
C14 C15 C10 121.9(3) . . ?
C14 C15 H15 119.0 . . ?
C17 C16 Ge1 123.4(2) . . ?
C17 C16 C21 116.4(3) . . ?
C21 C16 Ge1 120.1(2) . . ?
C16 C17 H17 119.3 . . ?
C16 C17 C18 121.5(3) . . ?
C18 C17 H17 119.3 . . ?
C17 C18 H18 119.9 . . ?
C19 C18 C17 120.3(3) . . ?
C19 C18 H18 119.9 . . ?
C18 C19 H19 120.3 . . ?
C20 C19 C18 119.4(3) . . ?
C20 C19 H19 120.3 . . ?
C19 C20 H20 119.7 . . ?
C19 C20 C21 120.6(3) . . ?
C21 C20 H20 119.7 . . ?
C16 C21 H21 119.1 . . ?
C20 C21 C16 121.8(3) . . ?
C20 C21 H21 119.1 . . ?
P1 C22 H22D 109.5 . . ?
P1 C22 H22E 109.5 . . ?
P1 C22 H22F 109.5 . . ?
H22D C22 H22E 109.5 . . ?
H22D C22 H22F 109.5 . . ?
H22E C22 H22F 109.5 . . ?
P1 C23 H23D 109.5 . . ?
P1 C23 H23E 109.5 . . ?
P1 C23 H23F 109.5 . . ?
H23D C23 H23E 109.5 . . ?
H23D C23 H23F 109.5 . . ?
H23E C23 H23F 109.5 . . ?
P1 C24 H24C 109.7 . . ?
P1 C24 H24D 109.7 . . ?
H24C C24 H24D 108.2 . . ?
C25 C24 P1 109.6(3) . . ?
C25 C24 H24C 109.7 . . ?
C25 C24 H24D 109.7 . . ?
P2 C25 H25C 110.2 . . ?
P2 C25 H25D 110.2 . . ?
C24 C25 P2 107.6(2) . . ?
C24 C25 H25C 110.2 . . ?
C24 C25 H25D 110.2 . . ?
H25C C25 H25D 108.5 . . ?
P2 C26 H26D 109.5 . . ?
P2 C26 H26E 109.5 . . ?
P2 C26 H26F 109.5 . . ?
H26D C26 H26E 109.5 . . ?
H26D C26 H26F 109.5 . . ?
H26E C26 H26F 109.5 . . ?
P2 C27 H27D 109.5 . . ?
P2 C27 H27E 109.5 . . ?
P2 C27 H27F 109.5 . . ?
H27D C27 H27E 109.5 . . ?
H27D C27 H27F 109.5 . . ?
H27E C27 H27F 109.5 . . ?
P3 C28 H28D 109.5 . . ?
P3 C28 H28E 109.5 . . ?
P3 C28 H28F 109.5 . . ?
H28D C28 H28E 109.5 . . ?
H28D C28 H28F 109.5 . . ?
H28E C28 H28F 109.5 . . ?
P3 C29 H29D 109.5 . . ?
P3 C29 H29E 109.5 . . ?
P3 C29 H29F 109.5 . . ?
H29D C29 H29E 109.5 . . ?
H29D C29 H29F 109.5 . . ?
H29E C29 H29F 109.5 . . ?
P3 C30 H30E 109.7 . . ?
P3 C30 H30F 109.7 . . ?
H30E C30 H30F 108.2 . . ?
C31 C30 P3 109.6(2) . . ?
C31 C30 H30E 109.7 . . ?
C31 C30 H30F 109.7 . . ?
P4 C31 H31E 110.3 . . ?
P4 C31 H31F 110.3 . . ?
C30 C31 P4 106.9(2) . . ?
C30 C31 H31E 110.3 . . ?
C30 C31 H31F 110.3 . . ?
H31E C31 H31F 108.6 . . ?
P4 C32 H32D 109.5 . . ?
P4 C32 H32E 109.5 . . ?
P4 C32 H32F 109.5 . . ?
H32D C32 H32E 109.5 . . ?
H32D C32 H32F 109.5 . . ?
H32E C32 H32F 109.5 . . ?
P4 C33 H33D 109.5 . . ?
P4 C33 H33E 109.5 . . ?
P4 C33 H33F 109.5 . . ?
H33D C33 H33E 109.5 . . ?
H33D C33 H33F 109.5 . . ?
H33E C33 H33F 109.5 . . ?
Mn1A Ge1A H1A 112.0(11) . . ?
C10A Ge1A H1A 100.3(11) . . ?
C10A Ge1A Mn1A 118.87(8) . . ?
C10A Ge1A C16A 96.67(12) . . ?
C16A Ge1A H1A 98.1(11) . . ?
C16A Ge1A Mn1A 126.28(9) . . ?
P1A Mn1A Ge1A 88.48(3) . . ?
P1A Mn1A P2A 83.84(4) . . ?
P2A Mn1A Ge1A 91.18(4) . . ?
P3A Mn1A Ge1A 174.19(3) . . ?
P3A Mn1A P1A 95.32(4) . . ?
P3A Mn1A P2A 93.60(4) . . ?
P4A Mn1A Ge1A 91.89(3) . . ?
P4A Mn1A P1A 178.11(4) . . ?
P4A Mn1A P2A 94.30(4) . . ?
P4A Mn1A P3A 84.45(4) . . ?
C1A Mn1A Ge1A 88.35(9) . . ?
C1A Mn1A P1A 90.61(9) . . ?
C1A Mn1A P2A 174.44(9) . . ?
C1A Mn1A P3A 87.21(9) . . ?
C1A Mn1A P4A 91.25(9) . . ?
C22A P1A Mn1A 122.72(11) . . ?
C22A P1A C23A 97.47(15) . . ?
C22A P1A C24A 98.48(18) . . ?
C23A P1A Mn1A 120.18(11) . . ?
C23A P1A C24A 101.99(15) . . ?
C24A P1A Mn1A 112.10(12) . . ?
C25A P2A Mn1A 107.81(14) . . ?
C26A P2A Mn1A 122.96(14) . . ?
C26A P2A C25A 101.0(2) . . ?
C26A P2A C27A 97.79(19) . . ?
C27A P2A Mn1A 125.64(14) . . ?
C27A P2A C25A 96.28(18) . . ?
C28A P3A Mn1A 118.68(14) . . ?
C28A P3A C29A 96.93(17) . . ?
C28A P3A C30A 107.7(3) . . ?
C29A P3A Mn1A 127.49(13) . . ?
C29A P3A C30A 93.7(2) . . ?
C30B P3A Mn1A 111.0(2) . . ?
C30A P3A Mn1A 108.67(18) . . ?
C31B P4A Mn1A 106.2(2) . . ?
C31A P4A Mn1A 112.02(17) . . ?
C32A P4A Mn1A 120.08(13) . . ?
C32A P4A C31A 89.6(2) . . ?
C32A P4A C33A 97.91(17) . . ?
C33A P4A Mn1A 124.26(15) . . ?
C33A P4A C31A 107.0(3) . . ?
C1A N1A C2A 167.3(3) . . ?
N1A C1A Mn1A 176.7(2) . . ?
N1A C2A C3A 120.0(3) . . ?
N1A C2A C7A 118.7(3) . . ?
C3A C2A C7A 121.3(3) . . ?
C2A C3A C8A 122.0(3) . . ?
C4A C3A C2A 118.4(3) . . ?
C4A C3A C8A 119.6(3) . . ?
C3A C4A H4A 119.3 . . ?
C3A C4A C5A 121.3(3) . . ?
C5A C4A H4A 119.3 . . ?
C4A C5A H5A 120.0 . . ?
C6A C5A C4A 120.0(3) . . ?
C6A C5A H5A 120.0 . . ?
C5A C6A H6A 119.5 . . ?
C5A C6A C7A 121.0(3) . . ?
C7A C6A H6A 119.5 . . ?
C2A C7A C9A 120.5(3) . . ?
C6A C7A C2A 118.0(3) . . ?
C6A C7A C9A 121.5(3) . . ?
C3A C8A H8AA 109.5 . . ?
C3A C8A H8AB 109.5 . . ?
C3A C8A H8AC 109.5 . . ?
H8AA C8A H8AB 109.5 . . ?
H8AA C8A H8AC 109.5 . . ?
H8AB C8A H8AC 109.5 . . ?
C7A C9A H9AA 109.5 . . ?
C7A C9A H9AB 109.5 . . ?
C7A C9A H9AC 109.5 . . ?
H9AA C9A H9AB 109.5 . . ?
H9AA C9A H9AC 109.5 . . ?
H9AB C9A H9AC 109.5 . . ?
C11A C10A Ge1A 122.6(2) . . ?
C11A C10A C15A 116.6(3) . . ?
C15A C10A Ge1A 120.8(2) . . ?
C10A C11A H11A 119.0 . . ?
C10A C11A C12A 122.0(3) . . ?
C12A C11A H11A 119.0 . . ?
C11A C12A H12A 120.0 . . ?
C13A C12A C11A 120.1(3) . . ?
C13A C12A H12A 120.0 . . ?
C12A C13A H13A 120.2 . . ?
C12A C13A C14A 119.6(3) . . ?
C14A C13A H13A 120.2 . . ?
C13A C14A H14A 120.0 . . ?
C15A C14A C13A 119.9(3) . . ?
C15A C14A H14A 120.0 . . ?
C10A C15A H15A 119.1 . . ?
C14A C15A C10A 121.9(3) . . ?
C14A C15A H15A 119.1 . . ?
C17A C16A Ge1A 121.5(3) . . ?
C21A C16A Ge1A 122.2(2) . . ?
C21A C16A C17A 116.2(3) . . ?
C16A C17A H17A 119.0 . . ?
C18A C17A C16A 122.0(4) . . ?
C18A C17A H17A 119.0 . . ?
C17A C18A H18A 119.9 . . ?
C19A C18A C17A 120.1(4) . . ?
C19A C18A H18A 119.9 . . ?
C18A C19A H19A 120.2 . . ?
C18A C19A C20A 119.6(3) . . ?
C20A C19A H19A 120.2 . . ?
C19A C20A H20A 120.2 . . ?
C19A C20A C21A 119.7(4) . . ?
C21A C20A H20A 120.2 . . ?
C16A C21A C20A 122.3(4) . . ?
C16A C21A H21A 118.8 . . ?
C20A C21A H21A 118.8 . . ?
P1A C22A H22A 109.5 . . ?
P1A C22A H22B 109.5 . . ?
P1A C22A H22C 109.5 . . ?
H22A C22A H22B 109.5 . . ?
H22A C22A H22C 109.5 . . ?
H22B C22A H22C 109.5 . . ?
P1A C23A H23A 109.5 . . ?
P1A C23A H23B 109.5 . . ?
P1A C23A H23C 109.5 . . ?
H23A C23A H23B 109.5 . . ?
H23A C23A H23C 109.5 . . ?
H23B C23A H23C 109.5 . . ?
P1A C24A H24A 109.5 . . ?
P1A C24A H24B 109.5 . . ?
H24A C24A H24B 108.1 . . ?
C25A C24A P1A 110.8(3) . . ?
C25A C24A H24A 109.5 . . ?
C25A C24A H24B 109.5 . . ?
P2A C25A H25A 109.9 . . ?
P2A C25A H25B 109.9 . . ?
C24A C25A P2A 109.0(3) . . ?
C24A C25A H25A 109.9 . . ?
C24A C25A H25B 109.9 . . ?
H25A C25A H25B 108.3 . . ?
P2A C26A H26A 109.5 . . ?
P2A C26A H26B 109.5 . . ?
P2A C26A H26C 109.5 . . ?
H26A C26A H26B 109.5 . . ?
H26A C26A H26C 109.5 . . ?
H26B C26A H26C 109.5 . . ?
P2A C27A H27A 109.5 . . ?
P2A C27A H27B 109.5 . . ?
P2A C27A H27C 109.5 . . ?
H27A C27A H27B 109.5 . . ?
H27A C27A H27C 109.5 . . ?
H27B C27A H27C 109.5 . . ?
P3A C28A H28A 109.5 . . ?
P3A C28A H28B 109.5 . . ?
P3A C28A H28C 109.5 . . ?
H28A C28A H28B 109.5 . . ?
H28A C28A H28C 109.5 . . ?
H28B C28A H28C 109.5 . . ?
P3A C29A H29A 109.5 . . ?
P3A C29A H29B 109.5 . . ?
P3A C29A H29C 109.5 . . ?
H29A C29A H29B 109.5 . . ?
H29A C29A H29C 109.5 . . ?
H29B C29A H29C 109.5 . . ?
P3A C30B H30A 111.4 . . ?
P3A C30B H30B 111.4 . . ?
H30A C30B H30B 109.3 . . ?
C31B C30B P3A 101.8(3) . . ?
C31B C30B H30A 111.4 . . ?
C31B C30B H30B 111.4 . . ?
P3A C30A H30C 109.7 . . ?
P3A C30A H30D 109.7 . . ?
H30C C30A H30D 108.2 . . ?
C31A C30A P3A 109.6(3) . . ?
C31A C30A H30C 109.7 . . ?
C31A C30A H30D 109.7 . . ?
P4A C31B H31A 110.0 . . ?
P4A C31B H31B 110.0 . . ?
C30B C31B P4A 108.5(3) . . ?
C30B C31B H31A 110.0 . . ?
C30B C31B H31B 110.0 . . ?
H31A C31B H31B 108.4 . . ?
P4A C31A H31C 110.7 . . ?
P4A C31A H31D 110.7 . . ?
C30A C31A P4A 105.3(3) . . ?
C30A C31A H31C 110.7 . . ?
C30A C31A H31D 110.7 . . ?
H31C C31A H31D 108.8 . . ?
P4A C32A H32A 109.5 . . ?
P4A C32A H32B 109.5 . . ?
P4A C32A H32C 109.5 . . ?
H32A C32A H32B 109.5 . . ?
H32A C32A H32C 109.5 . . ?
H32B C32A H32C 109.5 . . ?
P4A C33A H33A 109.5 . . ?
P4A C33A H33B 109.5 . . ?
P4A C33A H33C 109.5 . . ?
H33A C33A H33B 109.5 . . ?
H33A C33A H33C 109.5 . . ?
H33B C33A H33C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C35 C34 H34A 109.5 . . ?
C35 C34 H34B 109.5 . . ?
C35 C34 H34C 109.5 . . ?
C36 C35 C34 119.7(5) . . ?
C36 C35 C40 120.5(5) . . ?
C40 C35 C34 119.8(6) . . ?
C35 C36 H36 119.7 . . ?
C37 C36 C35 120.6(5) . . ?
C37 C36 H36 119.7 . . ?
C36 C37 H37 118.8 . . ?
C36 C37 C38 122.5(5) . . ?
C38 C37 H37 118.8 . . ?
C37 C38 H38 120.6 . . ?
C37 C38 C39 118.8(5) . . ?
C39 C38 H38 120.6 . . ?
C38 C39 H39 121.6 . . ?
C38 C39 C40 116.8(5) . . ?
C40 C39 H39 121.6 . . ?
C35 C40 C39 120.4(5) . . ?
C35 C40 H40 119.8 . . ?
C39 C40 H40 119.8 . . ?
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
Ge1 H1 1.65(3) . ?
Ge1 Mn1 2.4815(10) . ?
Ge1 C10 2.003(3) . ?
Ge1 C16 2.016(3) . ?
Mn1 P1 2.2452(10) . ?
Mn1 P2 2.2546(12) . ?
Mn1 P3 2.2900(11) . ?
Mn1 P4 2.2373(10) . ?
Mn1 C1 1.821(3) . ?
P1 C22 1.841(3) . ?
P1 C23 1.846(3) . ?
P1 C24 1.858(4) . ?
P2 C25 1.873(4) . ?
P2 C26 1.840(4) . ?
P2 C27 1.849(3) . ?
P3 C28 1.824(3) . ?
P3 C29 1.842(3) . ?
P3 C30 1.857(3) . ?
P4 C31 1.841(3) . ?
P4 C32 1.829(3) . ?
P4 C33 1.844(3) . ?
N1 C1 1.192(4) . ?
N1 C2 1.383(4) . ?
C2 C3 1.412(4) . ?
C2 C7 1.403(4) . ?
C3 C4 1.390(4) . ?
C3 C8 1.506(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.377(5) . ?
C5 H5 0.9500 . ?
C5 C6 1.385(5) . ?
C6 H6 0.9500 . ?
C6 C7 1.392(4) . ?
C7 C9 1.510(4) . ?
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 C11 1.401(4) . ?
C10 C15 1.402(4) . ?
C11 H11 0.9500 . ?
C11 C12 1.397(4) . ?
C12 H12 0.9500 . ?
C12 C13 1.399(5) . ?
C13 H13 0.9500 . ?
C13 C14 1.381(5) . ?
C14 H14 0.9500 . ?
C14 C15 1.393(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.396(4) . ?
C16 C21 1.408(4) . ?
C17 H17 0.9500 . ?
C17 C18 1.403(4) . ?
C18 H18 0.9500 . ?
C18 C19 1.384(6) . ?
C19 H19 0.9500 . ?
C19 C20 1.370(6) . ?
C20 H20 0.9500 . ?
C20 C21 1.393(4) . ?
C21 H21 0.9500 . ?
C22 H22D 0.9800 . ?
C22 H22E 0.9800 . ?
C22 H22F 0.9800 . ?
C23 H23D 0.9800 . ?
C23 H23E 0.9800 . ?
C23 H23F 0.9800 . ?
C24 H24C 0.9900 . ?
C24 H24D 0.9900 . ?
C24 C25 1.512(5) . ?
C25 H25C 0.9900 . ?
C25 H25D 0.9900 . ?
C26 H26D 0.9800 . ?
C26 H26E 0.9800 . ?
C26 H26F 0.9800 . ?
C27 H27D 0.9800 . ?
C27 H27E 0.9800 . ?
C27 H27F 0.9800 . ?
C28 H28D 0.9800 . ?
C28 H28E 0.9800 . ?
C28 H28F 0.9800 . ?
C29 H29D 0.9800 . ?
C29 H29E 0.9800 . ?
C29 H29F 0.9800 . ?
C30 H30E 0.9900 . ?
C30 H30F 0.9900 . ?
C30 C31 1.524(4) . ?
C31 H31E 0.9900 . ?
C31 H31F 0.9900 . ?
C32 H32D 0.9800 . ?
C32 H32E 0.9800 . ?
C32 H32F 0.9800 . ?
C33 H33D 0.9800 . ?
C33 H33E 0.9800 . ?
C33 H33F 0.9800 . ?
Ge1A H1A 1.70(3) . ?
Ge1A Mn1A 2.4647(10) . ?
Ge1A C10A 1.993(3) . ?
Ge1A C16A 2.019(3) . ?
Mn1A P1A 2.2492(11) . ?
Mn1A P2A 2.2917(11) . ?
Mn1A P3A 2.2450(12) . ?
Mn1A P4A 2.2400(10) . ?
Mn1A C1A 1.827(3) . ?
P1A C22A 1.840(3) . ?
P1A C23A 1.841(3) . ?
P1A C24A 1.845(3) . ?
P2A C25A 1.895(4) . ?
P2A C26A 1.806(4) . ?
P2A C27A 1.832(4) . ?
P3A C28A 1.832(5) . ?
P3A C29A 1.844(3) . ?
P3A C30B 1.874(3) . ?
P3A C30A 1.880(3) . ?
P4A C31B 1.877(3) . ?
P4A C31A 1.877(3) . ?
P4A C32A 1.830(4) . ?
P4A C33A 1.834(3) . ?
N1A C1A 1.195(4) . ?
N1A C2A 1.392(4) . ?
C2A C3A 1.403(4) . ?
C2A C7A 1.413(4) . ?
C3A C4A 1.383(5) . ?
C3A C8A 1.511(4) . ?
C4A H4A 0.9500 . ?
C4A C5A 1.388(5) . ?
C5A H5A 0.9500 . ?
C5A C6A 1.382(5) . ?
C6A H6A 0.9500 . ?
C6A C7A 1.395(4) . ?
C7A C9A 1.488(5) . ?
C8A H8AA 0.9800 . ?
C8A H8AB 0.9800 . ?
C8A H8AC 0.9800 . ?
C9A H9AA 0.9800 . ?
C9A H9AB 0.9800 . ?
C9A H9AC 0.9800 . ?
C10A C11A 1.393(4) . ?
C10A C15A 1.408(4) . ?
C11A H11A 0.9500 . ?
C11A C12A 1.398(4) . ?
C12A H12A 0.9500 . ?
C12A C13A 1.379(5) . ?
C13A H13A 0.9500 . ?
C13A C14A 1.391(5) . ?
C14A H14A 0.9500 . ?
C14A C15A 1.390(4) . ?
C15A H15A 0.9500 . ?
C16A C17A 1.400(5) . ?
C16A C21A 1.389(5) . ?
C17A H17A 0.9500 . ?
C17A C18A 1.389(5) . ?
C18A H18A 0.9500 . ?
C18A C19A 1.376(7) . ?
C19A H19A 0.9500 . ?
C19A C20A 1.379(7) . ?
C20A H20A 0.9500 . ?
C20A C21A 1.395(5) . ?
C21A H21A 0.9500 . ?
C22A H22A 0.9800 . ?
C22A H22B 0.9800 . ?
C22A H22C 0.9800 . ?
C23A H23A 0.9800 . ?
C23A H23B 0.9800 . ?
C23A H23C 0.9800 . ?
C24A H24A 0.9900 . ?
C24A H24B 0.9900 . ?
C24A C25A 1.480(6) . ?
C25A H25A 0.9900 . ?
C25A H25B 0.9900 . ?
C26A H26A 0.9800 . ?
C26A H26B 0.9800 . ?
C26A H26C 0.9800 . ?
C27A H27A 0.9800 . ?
C27A H27B 0.9800 . ?
C27A H27C 0.9800 . ?
C28A H28A 0.9800 . ?
C28A H28B 0.9800 . ?
C28A H28C 0.9800 . ?
C29A H29A 0.9800 . ?
C29A H29B 0.9800 . ?
C29A H29C 0.9800 . ?
C30B H30A 0.9900 . ?
C30B H30B 0.9900 . ?
C30B C31B 1.525(6) . ?
C30A H30C 0.9900 . ?
C30A H30D 0.9900 . ?
C30A C31A 1.525(6) . ?
C31B H31A 0.9900 . ?
C31B H31B 0.9900 . ?
C31A H31C 0.9900 . ?
C31A H31D 0.9900 . ?
C32A H32A 0.9800 . ?
C32A H32B 0.9800 . ?
C32A H32C 0.9800 . ?
C33A H33A 0.9800 . ?
C33A H33B 0.9800 . ?
C33A H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C34 C35 1.484(8) . ?
C35 C36 1.339(7) . ?
C35 C40 1.342(7) . ?
C36 H36 0.9500 . ?
C36 C37 1.337(8) . ?
C37 H37 0.9500 . ?
C37 C38 1.362(7) . ?
C38 H38 0.9500 . ?
C38 C39 1.393(7) . ?
C39 H39 0.9500 . ?
C39 C40 1.444(8) . ?
C40 H40 0.9500 . ?
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
Ge1 C10 C11 C12 -177.0(2) . . . . ?
Ge1 C10 C15 C14 177.5(2) . . . . ?
Ge1 C16 C17 C18 -178.3(2) . . . . ?
Ge1 C16 C21 C20 178.9(2) . . . . ?
Mn1 P1 C24 C25 -33.2(3) . . . . ?
Mn1 P2 C25 C24 -40.4(3) . . . . ?
Mn1 P3 C30 C31 34.8(2) . . . . ?
Mn1 P4 C31 C30 40.5(2) . . . . ?
P1 C24 C25 P2 45.1(3) . . . . ?
P3 C30 C31 P4 -46.0(3) . . . . ?
N1 C2 C3 C4 179.3(3) . . . . ?
N1 C2 C3 C8 -1.6(4) . . . . ?
N1 C2 C7 C6 -178.9(3) . . . . ?
N1 C2 C7 C9 1.9(4) . . . . ?
C2 C3 C4 C5 -0.7(5) . . . . ?
C3 C2 C7 C6 0.8(4) . . . . ?
C3 C2 C7 C9 -178.5(3) . . . . ?
C3 C4 C5 C6 1.2(5) . . . . ?
C4 C5 C6 C7 -0.7(5) . . . . ?
C5 C6 C7 C2 -0.3(4) . . . . ?
C5 C6 C7 C9 179.0(3) . . . . ?
C7 C2 C3 C4 -0.3(4) . . . . ?
C7 C2 C3 C8 178.7(3) . . . . ?
C8 C3 C4 C5 -179.7(3) . . . . ?
C10 C11 C12 C13 -0.5(5) . . . . ?
C11 C10 C15 C14 0.3(4) . . . . ?
C11 C12 C13 C14 0.2(5) . . . . ?
C12 C13 C14 C15 0.3(5) . . . . ?
C13 C14 C15 C10 -0.5(4) . . . . ?
C15 C10 C11 C12 0.3(4) . . . . ?
C16 C17 C18 C19 -2.4(5) . . . . ?
C17 C16 C21 C20 -3.4(5) . . . . ?
C17 C18 C19 C20 -0.2(5) . . . . ?
C18 C19 C20 C21 0.9(5) . . . . ?
C19 C20 C21 C16 0.9(5) . . . . ?
C21 C16 C17 C18 4.1(5) . . . . ?
C22 P1 C24 C25 -160.8(3) . . . . ?
C23 P1 C24 C25 99.2(3) . . . . ?
C26 P2 C25 C24 84.1(3) . . . . ?
C27 P2 C25 C24 -176.5(3) . . . . ?
C28 P3 C30 C31 165.8(2) . . . . ?
C29 P3 C30 C31 -94.8(2) . . . . ?
C32 P4 C31 C30 -89.8(2) . . . . ?
C33 P4 C31 C30 170.5(2) . . . . ?
Ge1A C10A C11A C12A 176.5(2) . . . . ?
Ge1A C10A C15A C14A -177.1(2) . . . . ?
Ge1A C16A C17A C18A 178.5(3) . . . . ?
Ge1A C16A C21A C20A -179.8(3) . . . . ?
Mn1A P1A C24A C25A 27.8(3) . . . . ?
Mn1A P2A C25A C24A 41.1(3) . . . . ?
Mn1A P3A C30B C31B -41.8(5) . . . . ?
Mn1A P3A C30A C31A 41.6(5) . . . . ?
Mn1A P4A C31B C30B -49.2(5) . . . . ?
Mn1A P4A C31A C30A 36.2(5) . . . . ?
P1A C24A C25A P2A -42.7(3) . . . . ?
P3A C30B C31B P4A 55.4(6) . . . . ?
P3A C30A C31A P4A -47.1(6) . . . . ?
N1A C2A C3A C4A -178.7(3) . . . . ?
N1A C2A C3A C8A 0.7(4) . . . . ?
N1A C2A C7A C6A 178.9(3) . . . . ?
N1A C2A C7A C9A 0.7(4) . . . . ?
C1A N1A C2A C3A 109.7(13) . . . . ?
C1A N1A C2A C7A -70.8(14) . . . . ?
C2A C3A C4A C5A -0.8(5) . . . . ?
C3A C2A C7A C6A -1.7(4) . . . . ?
C3A C2A C7A C9A -179.8(3) . . . . ?
C3A C4A C5A C6A -0.4(6) . . . . ?
C4A C5A C6A C7A 0.6(5) . . . . ?
C5A C6A C7A C2A 0.4(5) . . . . ?
C5A C6A C7A C9A 178.5(3) . . . . ?
C7A C2A C3A C4A 1.9(4) . . . . ?
C7A C2A C3A C8A -178.7(3) . . . . ?
C8A C3A C4A C5A 179.8(3) . . . . ?
C10A C11A C12A C13A 0.8(5) . . . . ?
C11A C10A C15A C14A 0.2(4) . . . . ?
C11A C12A C13A C14A -0.2(5) . . . . ?
C12A C13A C14A C15A -0.4(5) . . . . ?
C13A C14A C15A C10A 0.4(4) . . . . ?
C15A C10A C11A C12A -0.8(4) . . . . ?
C16A C17A C18A C19A 0.2(6) . . . . ?
C17A C16A C21A C20A -2.6(5) . . . . ?
C17A C18A C19A C20A -0.4(6) . . . . ?
C18A C19A C20A C21A -0.8(6) . . . . ?
C19A C20A C21A C16A 2.4(6) . . . . ?
C21A C16A C17A C18A 1.3(5) . . . . ?
C22A P1A C24A C25A 158.4(3) . . . . ?
C23A P1A C24A C25A -102.0(3) . . . . ?
C26A P2A C25A C24A -89.0(3) . . . . ?
C27A P2A C25A C24A 171.7(3) . . . . ?
C28A P3A C30A C31A -88.2(5) . . . . ?
C29A P3A C30A C31A 173.3(5) . . . . ?
C32A P4A C31A C30A 158.7(5) . . . . ?
C33A P4A C31A C30A -103.2(4) . . . . ?
C34 C35 C36 C37 -176.4(6) . . . . ?
C34 C35 C40 C39 -179.3(5) . . . . ?
C35 C36 C37 C38 -5.6(9) . . . . ?
C36 C35 C40 C39 -2.3(8) . . . . ?
C36 C37 C38 C39 0.2(9) . . . . ?
C37 C38 C39 C40 3.9(8) . . . . ?
C38 C39 C40 C35 -2.9(8) . . . . ?
C40 C35 C36 C37 6.6(8) . . . . ?
