# Supplementary Information (SI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mo_20240302_86077_2_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2414560'
loop_
_audit_author_name
_audit_author_address
'Wu Mengyue'
;Chongqing University of Posts and Telecommunications
China
;
_audit_update_record             
;
2025-01-05 deposited with the CCDC.	2025-04-24 downloaded from the CCDC.
;
_audit_creation_date             2024-03-02
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Br4 Mn, 2(C21 H22 P)'
_chemical_formula_sum            'C42 H44 Br4 Mn P2'
_chemical_formula_weight         985.29
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   17.316(4)
_cell_length_b                   14.982(3)
_cell_length_c                   18.264(3)
_cell_angle_alpha                90
_cell_angle_beta                 116.307(7)
_cell_angle_gamma                90
_cell_volume                     4247.8(16)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9976
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      27.97
_cell_measurement_theta_min      2.56
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.176
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.5770
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0704 before and 0.0530 after correction.
The Ratio of minimum to maximum transmission is 0.7737.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.541
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1964
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0480
_diffrn_reflns_av_unetI/netI     0.0529
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.957
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            35361
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.957
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.185
_diffrn_reflns_theta_min         2.620
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7310
_reflns_number_total             11004
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.294
_refine_diff_density_min         -1.961
_refine_diff_density_rms         0.124
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     446
_refine_ls_number_reflns         11004
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0974
_refine_ls_R_factor_gt           0.0609
_refine_ls_restrained_S_all      1.025
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1128P)²+6.3114P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1717
_refine_ls_wR_factor_ref         0.2071
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C00J(H00J), C013(H013)
2.b Aromatic/amide H refined with riding coordinates:
 C009(H009), C00C(H00C), C00E(H00E), C00F(H00F), C00G(H00G), C00I(H00I),
 C00K(H00K), C00L(H00L), C00M(H00M), C00N(H00N), C00O(H00O), C00P(H00P),
 C00Q(H00Q), C00S(H00S), C00T(H00T), C00U(H00U), C00V(H00V), C00W(H00W),
 C00X(H00X), C00Y(H00Y), C00Z(H00Z), C010(H010), C011(H011), C015(H015),
 C016(H016), C017(H017), C018(H018), C019(H019), C01A(H01G), C01C(H01H)
2.c Idealised Me refined as rotating group:
 C012(H01A,H01B,H01C), C014(H01D,H01E,H01F), C01B(H01I,H01J,H01K), C01D(H01L,
 H01M,H01N)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Br01 Br 0.36231(4) 0.70807(4) 0.49080(4) 0.06255(18) Uani 1 1 d . . . . .
Br02 Br 0.30491(5) 0.97216(4) 0.52449(4) 0.0723(2) Uani 1 1 d . . . . .
Br03 Br 0.12074(4) 0.76834(5) 0.45841(4) 0.06798(19) Uani 1 1 d . . . . .
Br04 Br 0.32044(5) 0.76875(4) 0.68072(4) 0.06652(19) Uani 1 1 d . . . . .
Mn05 Mn 0.27690(5) 0.80788(5) 0.53652(4) 0.04139(18) Uani 1 1 d . . . . .
P006 P 0.69179(7) 0.35387(7) 0.77908(7) 0.0336(2) Uani 1 1 d . . . . .
P007 P 0.23900(8) 0.46691(7) 0.64687(7) 0.0387(3) Uani 1 1 d . . . . .
C008 C 0.8025(3) 0.3530(3) 0.7949(3) 0.0350(8) Uani 1 1 d . . . . .
C009 C 0.8701(3) 0.3713(3) 0.8723(3) 0.0439(10) Uani 1 1 d . . . . .
H009 H 0.858543 0.380762 0.916772 0.053 Uiso 1 1 calc R . . . .
C00A C 0.2159(3) 0.3496(3) 0.6295(3) 0.0390(9) Uani 1 1 d . . . . .
C00B C 0.6437(3) 0.4598(3) 0.7347(3) 0.0371(9) Uani 1 1 d . . . . .
C00C C 0.9704(3) 0.3638(3) 0.8168(4) 0.0537(13) Uani 1 1 d . . . . .
H00C H 1.026881 0.366290 0.823710 0.064 Uiso 1 1 calc R . . . .
C00D C 0.1508(3) 0.5238(3) 0.6550(3) 0.0402(9) Uani 1 1 d . . . . .
C00E C 0.9040(3) 0.3483(3) 0.7395(3) 0.0487(11) Uani 1 1 d . . . . .
H00E H 0.916421 0.342104 0.695172 0.058 Uiso 1 1 calc R . . . .
C00F C 0.1306(3) 0.3179(3) 0.5898(3) 0.0449(10) Uani 1 1 d . . . . .
H00F H 0.084675 0.357640 0.572428 0.054 Uiso 1 1 calc R . . . .
C00G C 0.9544(3) 0.3752(3) 0.8818(3) 0.0499(11) Uani 1 1 d . . . . .
H00G H 0.999604 0.385696 0.933140 0.060 Uiso 1 1 calc R . . . .
C00H C 0.3339(3) 0.4802(3) 0.7424(3) 0.0411(9) Uani 1 1 d . . . . .
C00I C 0.8195(3) 0.3419(3) 0.7279(3) 0.0418(10) Uani 1 1 d . . . . .
H00I H 0.775091 0.330359 0.676362 0.050 Uiso 1 1 calc R . . . .
C00J C 0.6892(3) 0.3378(3) 0.8764(3) 0.0451(10) Uani 1 1 d . . . . .
H00J H 0.722800 0.385684 0.913285 0.054 Uiso 1 1 calc R . . . .
C00K C 0.1158(4) 0.2275(4) 0.5770(3) 0.0520(12) Uani 1 1 d . . . . .
H00K H 0.059485 0.206473 0.552047 0.062 Uiso 1 1 calc R . . . .
C00L C 0.6444(3) 0.5304(3) 0.7844(3) 0.0450(11) Uani 1 1 d . . . . .
H00L H 0.669025 0.523195 0.840790 0.054 Uiso 1 1 calc R . . . .
C00M C 0.3460(3) 0.4244(3) 0.8078(3) 0.0466(11) Uani 1 1 d . . . . .
H00M H 0.307666 0.377986 0.800941 0.056 Uiso 1 1 calc R . . . .
C00N C 0.4612(4) 0.5632(4) 0.8299(4) 0.0613(15) Uani 1 1 d . . . . .
H00N H 0.499424 0.609821 0.837380 0.074 Uiso 1 1 calc R . . . .
C00O C 0.2841(3) 0.2881(3) 0.6543(3) 0.0462(10) Uani 1 1 d . . . . .
H00O H 0.340770 0.307931 0.680737 0.055 Uiso 1 1 calc R . . . .
C00P C 0.6081(4) 0.6118(3) 0.7494(4) 0.0546(13) Uani 1 1 d . . . . .
H00P H 0.607515 0.658812 0.782367 0.065 Uiso 1 1 calc R . . . .
C00Q C 0.1154(4) 0.4857(3) 0.7020(4) 0.0569(13) Uani 1 1 d . . . . .
H00Q H 0.133596 0.429616 0.725049 0.068 Uiso 1 1 calc R . . . .
C00R C 0.6297(3) 0.2646(3) 0.7121(3) 0.0363(9) Uani 1 1 d . . . . .
C00S C 0.5731(4) 0.6228(3) 0.6661(4) 0.0566(13) Uani 1 1 d . . . . .
H00S H 0.548491 0.677118 0.642634 0.068 Uiso 1 1 calc R . . . .
C00T C 0.3913(3) 0.5504(3) 0.7546(4) 0.0506(12) Uani 1 1 d . . . . .
H00T H 0.382473 0.589012 0.711678 0.061 Uiso 1 1 calc R . . . .
C00U C 0.4738(4) 0.5070(4) 0.8935(4) 0.0595(14) Uani 1 1 d . . . . .
H00U H 0.521427 0.514698 0.943722 0.071 Uiso 1 1 calc R . . . .
C00V C 0.1829(4) 0.1680(3) 0.6006(3) 0.0536(12) Uani 1 1 d . . . . .
H00V H 0.171759 0.107447 0.590326 0.064 Uiso 1 1 calc R . . . .
C00W C 0.1246(4) 0.6080(3) 0.6215(3) 0.0508(12) Uani 1 1 d . . . . .
H00W H 0.149027 0.633890 0.590423 0.061 Uiso 1 1 calc R . . . .
C00X C 0.5405(3) 0.2724(3) 0.6677(3) 0.0494(11) Uani 1 1 d . . . . .
H00X H 0.513498 0.325920 0.668003 0.059 Uiso 1 1 calc R . . . .
C00Y C 0.4160(4) 0.4389(4) 0.8832(3) 0.0566(13) Uani 1 1 d . . . . .
H00Y H 0.424037 0.402418 0.927236 0.068 Uiso 1 1 calc R . . . .
C00Z C 0.4922(4) 0.2004(4) 0.6233(4) 0.0580(13) Uani 1 1 d . . . . .
H00Z H 0.432878 0.206226 0.592686 0.070 Uiso 1 1 calc R . . . .
C010 C 0.2667(4) 0.1979(3) 0.6394(4) 0.0537(12) Uani 1 1 d . . . . .
H010 H 0.311897 0.157324 0.655767 0.064 Uiso 1 1 calc R . . . .
C011 C 0.6106(4) 0.4723(3) 0.6511(3) 0.0499(12) Uani 1 1 d . . . . .
H011 H 0.612586 0.426315 0.617808 0.060 Uiso 1 1 calc R . . . .
C012 C 0.5950(4) 0.3450(4) 0.8642(4) 0.0595(14) Uani 1 1 d . . . . .
H01A H 0.571537 0.401739 0.840199 0.089 Uiso 1 1 calc GR . . . .
H01B H 0.593944 0.339867 0.916160 0.089 Uiso 1 1 calc GR . . . .
H01C H 0.561243 0.298006 0.828830 0.089 Uiso 1 1 calc GR . . . .
C013 C 0.2571(4) 0.5142(3) 0.5639(3) 0.0511(12) Uani 1 1 d . . . . .
H013 H 0.268083 0.578300 0.574090 0.061 Uiso 1 1 calc R . . . .
C014 C 0.7292(4) 0.2483(4) 0.9155(4) 0.0587(14) Uani 1 1 d . . . . .
H01D H 0.696298 0.200383 0.880792 0.088 Uiso 1 1 calc GR . . . .
H01E H 0.728857 0.243184 0.967744 0.088 Uiso 1 1 calc GR . . . .
H01F H 0.787423 0.245302 0.922449 0.088 Uiso 1 1 calc GR . . . .
C015 C 0.0525(4) 0.5311(4) 0.7147(4) 0.0656(16) Uani 1 1 d . . . . .
H015 H 0.028993 0.506020 0.746829 0.079 Uiso 1 1 calc R . . . .
C016 C 0.0252(4) 0.6139(4) 0.6792(4) 0.0620(15) Uani 1 1 d . . . . .
H016 H -0.018797 0.643170 0.685611 0.074 Uiso 1 1 calc R . . . .
C017 C 0.6694(3) 0.1842(3) 0.7119(3) 0.0512(12) Uani 1 1 d . . . . .
H017 H 0.728878 0.178275 0.741018 0.061 Uiso 1 1 calc R . . . .
C018 C 0.5746(4) 0.5536(4) 0.6177(4) 0.0611(14) Uani 1 1 d . . . . .
H018 H 0.551051 0.561449 0.561402 0.073 Uiso 1 1 calc R . . . .
C019 C 0.0619(4) 0.6534(4) 0.6346(4) 0.0615(14) Uani 1 1 d . . . . .
H019 H 0.044964 0.710376 0.613185 0.074 Uiso 1 1 calc R . . . .
C01A C 0.5312(4) 0.1213(4) 0.6243(4) 0.0649(15) Uani 1 1 d . . . . .
H01G H 0.498178 0.072816 0.595465 0.078 Uiso 1 1 calc R . . . .
C01B C 0.3357(5) 0.4717(4) 0.5599(5) 0.0705(17) Uani 1 1 d . . . . .
H01I H 0.386510 0.484804 0.609189 0.106 Uiso 1 1 calc GR . . . .
H01J H 0.341866 0.495345 0.513927 0.106 Uiso 1 1 calc GR . . . .
H01K H 0.327881 0.408174 0.554014 0.106 Uiso 1 1 calc GR . . . .
C01C C 0.6191(4) 0.1123(4) 0.6675(4) 0.0673(16) Uani 1 1 d . . . . .
H01H H 0.645137 0.058127 0.667168 0.081 Uiso 1 1 calc R . . . .
C01D C 0.1747(5) 0.5021(5) 0.4818(4) 0.0697(16) Uani 1 1 d . . . . .
H01L H 0.162125 0.439695 0.471557 0.105 Uiso 1 1 calc GR . . . .
H01M H 0.184049 0.527671 0.438205 0.105 Uiso 1 1 calc GR . . . .
H01N H 0.127046 0.531587 0.485032 0.105 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Br01 Mn05 2.4931(10) . ?
Br02 Mn05 2.5369(10) . ?
Br03 Mn05 2.5058(11) . ?
Br04 Mn05 2.4674(10) . ?
P006 C008 1.807(4) . ?
P006 C00B 1.809(4) . ?
P006 C00J 1.813(5) . ?
P006 C00R 1.811(4) . ?
P007 C00A 1.800(4) . ?
P007 C00D 1.811(5) . ?
P007 C00H 1.801(5) . ?
P007 C013 1.821(5) . ?
C008 C009 1.406(6) . ?
C008 C00I 1.389(6) . ?
C009 H009 0.9300 . ?
C009 C00G 1.393(7) . ?
C00A C00F 1.408(7) . ?
C00A C00O 1.404(7) . ?
C00B C00L 1.391(6) . ?
C00B C011 1.384(7) . ?
C00C H00C 0.9300 . ?
C00C C00E 1.389(8) . ?
C00C C00G 1.344(8) . ?
C00D C00Q 1.380(7) . ?
C00D C00W 1.387(6) . ?
C00E H00E 0.9300 . ?
C00E C00I 1.386(7) . ?
C00F H00F 0.9300 . ?
C00F C00K 1.379(7) . ?
C00G H00G 0.9300 . ?
C00H C00M 1.395(7) . ?
C00H C00T 1.395(7) . ?
C00I H00I 0.9300 . ?
C00J H00J 0.9800 . ?
C00J C012 1.550(8) . ?
C00J C014 1.532(7) . ?
C00K H00K 0.9300 . ?
C00K C00V 1.373(8) . ?
C00L H00L 0.9300 . ?
C00L C00P 1.391(7) . ?
C00M H00M 0.9300 . ?
C00M C00Y 1.392(7) . ?
C00N H00N 0.9300 . ?
C00N C00T 1.386(8) . ?
C00N C00U 1.371(9) . ?
C00O H00O 0.9300 . ?
C00O C010 1.384(7) . ?
C00P H00P 0.9300 . ?
C00P C00S 1.376(8) . ?
C00Q H00Q 0.9300 . ?
C00Q C015 1.387(8) . ?
C00R C00X 1.394(7) . ?
C00R C017 1.388(6) . ?
C00S H00S 0.9300 . ?
C00S C018 1.371(8) . ?
C00T H00T 0.9300 . ?
C00U H00U 0.9300 . ?
C00U C00Y 1.382(9) . ?
C00V H00V 0.9300 . ?
C00V C010 1.377(8) . ?
C00W H00W 0.9300 . ?
C00W C019 1.389(8) . ?
C00X H00X 0.9300 . ?
C00X C00Z 1.386(7) . ?
C00Y H00Y 0.9300 . ?
C00Z H00Z 0.9300 . ?
C00Z C01A 1.361(9) . ?
C010 H010 0.9300 . ?
C011 H011 0.9300 . ?
C011 C018 1.381(7) . ?
C012 H01A 0.9600 . ?
C012 H01B 0.9600 . ?
C012 H01C 0.9600 . ?
C013 H013 0.9800 . ?
C013 C01B 1.534(8) . ?
C013 C01D 1.556(9) . ?
C014 H01D 0.9600 . ?
C014 H01E 0.9600 . ?
C014 H01F 0.9600 . ?
C015 H015 0.9300 . ?
C015 C016 1.383(8) . ?
C016 H016 0.9300 . ?
C016 C019 1.370(9) . ?
C017 H017 0.9300 . ?
C017 C01C 1.397(7) . ?
C018 H018 0.9300 . ?
C019 H019 0.9300 . ?
C01A H01G 0.9300 . ?
C01A C01C 1.376(9) . ?
C01B H01I 0.9600 . ?
C01B H01J 0.9600 . ?
C01B H01K 0.9600 . ?
C01C H01H 0.9300 . ?
C01D H01L 0.9600 . ?
C01D H01M 0.9600 . ?
C01D H01N 0.9600 . ?

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
Br01 Mn05 Br02 112.85(4) . . ?
Br01 Mn05 Br03 108.55(4) . . ?
Br03 Mn05 Br02 112.30(3) . . ?
Br04 Mn05 Br01 105.60(3) . . ?
Br04 Mn05 Br02 110.08(3) . . ?
Br04 Mn05 Br03 107.08(4) . . ?
C008 P006 C00B 108.8(2) . . ?
C008 P006 C00J 109.1(2) . . ?
C008 P006 C00R 111.92(19) . . ?
C00B P006 C00J 110.5(2) . . ?
C00B P006 C00R 109.1(2) . . ?
C00R P006 C00J 107.4(2) . . ?
C00A P007 C00D 110.2(2) . . ?
C00A P007 C00H 108.4(2) . . ?
C00A P007 C013 109.9(2) . . ?
C00D P007 C013 110.3(2) . . ?
C00H P007 C00D 108.0(2) . . ?
C00H P007 C013 110.1(2) . . ?
C009 C008 P006 120.7(3) . . ?
C00I C008 P006 118.9(3) . . ?
C00I C008 C009 120.1(4) . . ?
C008 C009 H009 120.2 . . ?
C00G C009 C008 119.6(5) . . ?
C00G C009 H009 120.2 . . ?
C00F C00A P007 121.3(4) . . ?
C00O C00A P007 119.6(4) . . ?
C00O C00A C00F 119.0(4) . . ?
C00L C00B P006 120.3(4) . . ?
C011 C00B P006 119.8(3) . . ?
C011 C00B C00L 119.8(4) . . ?
C00E C00C H00C 119.4 . . ?
C00G C00C H00C 119.4 . . ?
C00G C00C C00E 121.2(5) . . ?
C00Q C00D P007 118.7(3) . . ?
C00Q C00D C00W 120.1(5) . . ?
C00W C00D P007 120.9(4) . . ?
C00C C00E H00E 119.7 . . ?
C00I C00E C00C 120.6(5) . . ?
C00I C00E H00E 119.7 . . ?
C00A C00F H00F 120.3 . . ?
C00K C00F C00A 119.5(5) . . ?
C00K C00F H00F 120.3 . . ?
C009 C00G H00G 120.1 . . ?
C00C C00G C009 119.9(5) . . ?
C00C C00G H00G 120.1 . . ?
C00M C00H P007 119.2(4) . . ?
C00T C00H P007 121.1(4) . . ?
C00T C00H C00M 119.4(5) . . ?
C008 C00I H00I 120.7 . . ?
C00E C00I C008 118.6(4) . . ?
C00E C00I H00I 120.7 . . ?
P006 C00J H00J 108.2 . . ?
C012 C00J P006 109.4(4) . . ?
C012 C00J H00J 108.2 . . ?
C014 C00J P006 111.8(3) . . ?
C014 C00J H00J 108.2 . . ?
C014 C00J C012 110.9(4) . . ?
C00F C00K H00K 119.5 . . ?
C00V C00K C00F 121.1(5) . . ?
C00V C00K H00K 119.5 . . ?
C00B C00L H00L 120.2 . . ?
C00B C00L C00P 119.7(5) . . ?
C00P C00L H00L 120.2 . . ?
C00H C00M H00M 120.4 . . ?
C00Y C00M C00H 119.2(5) . . ?
C00Y C00M H00M 120.4 . . ?
C00T C00N H00N 120.1 . . ?
C00U C00N H00N 120.1 . . ?
C00U C00N C00T 119.8(5) . . ?
C00A C00O H00O 120.1 . . ?
C010 C00O C00A 119.9(5) . . ?
C010 C00O H00O 120.1 . . ?
C00L C00P H00P 119.9 . . ?
C00S C00P C00L 120.1(5) . . ?
C00S C00P H00P 119.9 . . ?
C00D C00Q H00Q 120.0 . . ?
C00D C00Q C015 119.9(5) . . ?
C015 C00Q H00Q 120.0 . . ?
C00X C00R P006 120.3(3) . . ?
C017 C00R P006 119.7(3) . . ?
C017 C00R C00X 119.6(4) . . ?
C00P C00S H00S 120.1 . . ?
C018 C00S C00P 119.8(5) . . ?
C018 C00S H00S 120.1 . . ?
C00H C00T H00T 119.7 . . ?
C00N C00T C00H 120.6(5) . . ?
C00N C00T H00T 119.7 . . ?
C00N C00U H00U 119.8 . . ?
C00N C00U C00Y 120.3(5) . . ?
C00Y C00U H00U 119.8 . . ?
C00K C00V H00V 119.9 . . ?
C00K C00V C010 120.2(5) . . ?
C010 C00V H00V 119.9 . . ?
C00D C00W H00W 120.1 . . ?
C00D C00W C019 119.9(5) . . ?
C019 C00W H00W 120.1 . . ?
C00R C00X H00X 120.0 . . ?
C00Z C00X C00R 120.1(5) . . ?
C00Z C00X H00X 120.0 . . ?
C00M C00Y H00Y 119.7 . . ?
C00U C00Y C00M 120.7(5) . . ?
C00U C00Y H00Y 119.7 . . ?
C00X C00Z H00Z 119.9 . . ?
C01A C00Z C00X 120.1(5) . . ?
C01A C00Z H00Z 119.9 . . ?
C00O C010 H010 119.8 . . ?
C00V C010 C00O 120.4(5) . . ?
C00V C010 H010 119.8 . . ?
C00B C011 H011 120.2 . . ?
C018 C011 C00B 119.5(5) . . ?
C018 C011 H011 120.2 . . ?
C00J C012 H01A 109.5 . . ?
C00J C012 H01B 109.5 . . ?
C00J C012 H01C 109.5 . . ?
H01A C012 H01B 109.5 . . ?
H01A C012 H01C 109.5 . . ?
H01B C012 H01C 109.5 . . ?
P007 C013 H013 108.3 . . ?
C01B C013 P007 111.2(4) . . ?
C01B C013 H013 108.3 . . ?
C01B C013 C01D 111.0(5) . . ?
C01D C013 P007 109.5(4) . . ?
C01D C013 H013 108.3 . . ?
C00J C014 H01D 109.5 . . ?
C00J C014 H01E 109.5 . . ?
C00J C014 H01F 109.5 . . ?
H01D C014 H01E 109.5 . . ?
H01D C014 H01F 109.5 . . ?
H01E C014 H01F 109.5 . . ?
C00Q C015 H015 120.2 . . ?
C016 C015 C00Q 119.5(6) . . ?
C016 C015 H015 120.2 . . ?
C015 C016 H016 119.6 . . ?
C019 C016 C015 120.9(5) . . ?
C019 C016 H016 119.6 . . ?
C00R C017 H017 120.4 . . ?
C00R C017 C01C 119.2(5) . . ?
C01C C017 H017 120.4 . . ?
C00S C018 C011 121.1(5) . . ?
C00S C018 H018 119.5 . . ?
C011 C018 H018 119.5 . . ?
C00W C019 H019 120.2 . . ?
C016 C019 C00W 119.6(5) . . ?
C016 C019 H019 120.2 . . ?
C00Z C01A H01G 119.7 . . ?
C00Z C01A C01C 120.6(5) . . ?
C01C C01A H01G 119.7 . . ?
C013 C01B H01I 109.5 . . ?
C013 C01B H01J 109.5 . . ?
C013 C01B H01K 109.5 . . ?
H01I C01B H01J 109.5 . . ?
H01I C01B H01K 109.5 . . ?
H01J C01B H01K 109.5 . . ?
C017 C01C H01H 119.8 . . ?
C01A C01C C017 120.3(5) . . ?
C01A C01C H01H 119.8 . . ?
C013 C01D H01L 109.5 . . ?
C013 C01D H01M 109.5 . . ?
C013 C01D H01N 109.5 . . ?
H01L C01D H01M 109.5 . . ?
H01L C01D H01N 109.5 . . ?
H01M C01D H01N 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
