Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives.
Wu, Weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, Zeming; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu; Chemical science 15 (2024) 20315–20327; doi:10.1039/d4sc04197f

data_1573115
_publ_section_title
;
 Rare-earth metal complexes bearing electrophilic and nucleophilic carbon
 centres and their unique reactivity patterns towards pyridine
 derivatives.
;
_journal_issue                   48
_journal_name_full               'Chemical science'
_journal_page_first              20315
_journal_page_last               20327
_journal_paper_doi               10.1039/d4sc04197f
_journal_volume                  15
_journal_year                    2024
_chemical_formula_moiety         'C70 H91 Er N10, 0.5(C7 H8)'
_chemical_formula_sum            'C73.5 H95 Er N10'
_chemical_formula_weight         1285.85
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_audit_creation_date             2024-04-16
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_audit_update_record
;
2024-05-29 deposited with the CCDC.	2024-11-12 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.576(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   21.640(3)
_cell_length_b                   23.137(3)
_cell_length_c                   29.409(4)
_cell_measurement_reflns_used    9932
_cell_measurement_temperature    300
_cell_measurement_theta_max      21.75
_cell_measurement_theta_min      2.19
_cell_volume                     14560(3)
_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    'olex2.solve 1.5 (Bourhis et al., 2015)'
_diffrn_ambient_temperature      300
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1643
_diffrn_reflns_av_unetI/netI     0.1241
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            139385
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.125
_exptl_absorpt_coefficient_mu    1.198
_exptl_absorpt_correction_T_max  0.741
_exptl_absorpt_correction_T_min  0.411
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'clear light black'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.173
_exptl_crystal_description       block
_exptl_crystal_F_000             5392
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.19
_refine_diff_density_max         1.688
_refine_diff_density_min         -1.141
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1881
_refine_ls_number_reflns         25608
_refine_ls_number_restraints     1483
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.1611
_refine_ls_R_factor_gt           0.0703
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0602P)^2^+14.8692P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1315
_refine_ls_wR_factor_ref         0.1653
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13353
_reflns_number_total             25608
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4sc04197f4.cif
_cod_data_source_block           8a
_cod_depositor_comments
'Adding full bibliography for 1573095--1573138.cif.'
_cod_original_formula_sum        'C73.50 H95 Er N10'
_cod_database_code               1573115
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_max   0.804
_shelx_estimated_absorpt_t_min   0.787
_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
 C1O-C1P
 1.51 with sigma of 0.02
 N5-C38 = N5-C39 = N5A-C43A = N5A-C38 = N5-C43 = N5A-C39A
 1.48 with sigma of 0.01
 C43A-C42A = C40-C39 = C42A-C41A = C41-C40 = C42-C41 = C41A-C40A = C40A-C39A =
 C43-C42
 1.54 with sigma of 0.01
 C108-C107 = C141-C107
 1.54 with sigma of 0.01
 N15-C108 = N15A-C141 = N15-C113 = N15A-C1F = N15A-C1B = N15-C109
 1.48 with sigma of 0.01
 C113-C112 = C1F-C1E = C112-C111 = C1E-C1D = C111-C110 = C1D-C1C = C1C-C1B =
 C110-C109
 1.54 with sigma of 0.01
 C1G-C1H
 1.51 with sigma of 0.02
 C1I-C1J = C1K-C1L = C1L-C1M
 1.38 with sigma of 0.02
 C1H-C1I = C1H-C1M = C1J-C1K
 1.39 with sigma of 0.02
 C1Q-C1R = C1S-C1T = C1T-C1U
 1.38 with sigma of 0.02
 C1P-C1Q = C1P-C1U = C1R-C1S
 1.39 with sigma of 0.02
 C1M-C1H = C1I-C1H = C1J-C1I = C1K-C1J = C1L-C1K = C1M-C1L
 1.4 with sigma of 0.01
 C1O-C1Q = C1O-C1U
 2.52 with sigma of 0.04
 C1J-C1L = C1K-C1M
 2.4 with sigma of 0.04
 C1G-C1I = C1G-C1M
 2.52 with sigma of 0.04
 C1H-C1J
 2.42 with sigma of 0.04
 C1H-C1L
 2.41 with sigma of 0.04
 C1I-C1K
 2.39 with sigma of 0.04
 C1R-C1T = C1S-C1U
 2.4 with sigma of 0.04
 C1P-C1R
 2.42 with sigma of 0.04
 C1P-C1T
 2.41 with sigma of 0.04
 C1Q-C1S
 2.39 with sigma of 0.04
 C1O-C1U \\sim C1O-C1Q
 with sigma of 0.04
 C126-C124 \\sim C125-C124
 with sigma of 0.02
 C12A-C11A \\sim C12-C11 \\sim C13-C12 \\sim C13A-C12A \\sim C14-C13 \\sim
C14A-C13A \\sim C15A-C14A ~
 C15-C14
 with sigma of 0.02
 N2-C11A \\sim N2-C11 \\sim N2-C15A \\sim N2-C15
 with sigma of 0.02
 C82A-C81A \\sim C82-C81 \\sim C83A-C82A \\sim C84-C83 \\sim C84A-C83A \\sim
C85A-C84A \\sim C85-C84 ~
 C83-C82
 with sigma of 0.02
 C80-C79 \\sim C80A-C79
 with sigma of 0.02
 N12A-C80A \\sim N12-C80 \\sim N12-C81 \\sim N12A-C81A \\sim N12A-C85A \\sim
N12-C85
 with sigma of 0.02
 C148-C121 \\sim C122-C121 \\sim C1A-C121 \\sim C123-C121
 with sigma of 0.02
 N5-C38 \\sim N5A-C38 \\sim N5A-C43A \\sim N5-C39 \\sim N5A-C39A \\sim N5-C43
 with sigma of 0.02
 C43A-C42A \\sim C40-C39 \\sim C42A-C41A \\sim C41-C40 \\sim C42-C41 \\sim
C41A-C40A \\sim C40A-C39A ~
 C43-C42
 with sigma of 0.02
 N15-C113 \\sim N15A-C141 \\sim N15-C108 \\sim N15A-C1F \\sim N15-C109 \\sim
N15A-C1B
 with sigma of 0.02
 C141-C107 \\sim C108-C107
 with sigma of 0.02
 C35-C34 \\sim C113-C112 \\sim C1F-C1E \\sim C1E-C1D \\sim C112-C111 \\sim
C110-C109 \\sim C1C-C1B ~
 C1D-C1C \\sim C111-C110
 with sigma of 0.02
 C1H-C1I \\sim C1I-C1J \\sim C1J-C1K \\sim C1K-C1L \\sim C1L-C1M \\sim C1M-C1H
 with sigma of 0.02
 C1H-C1L \\sim C1H-C1J \\sim C1M-C1K \\sim C1I-C1M \\sim C1J-C1L \\sim C1I-C1K
 with sigma of 0.04
 C1G-C1M \\sim C1G-C1I
 with sigma of 0.04
 C125-C124 \\sim C142-C124 \\sim C1N-C124 \\sim C126-C124
 with sigma of 0.02
 C1P-C1Q \\sim C1Q-C1R \\sim C1R-C1S \\sim C1S-C1T \\sim C1T-C1U \\sim C1U-C1P
 with sigma of 0.02
 C1P-C1T \\sim C1P-C1R \\sim C1U-C1S \\sim C1Q-C1U \\sim C1R-C1T \\sim C1Q-C1S
 with sigma of 0.04
3. Restrained planarity
 C1O, C1P, C1Q, C1R, C1S, C1T, C1U
 with sigma of 0.1
 C1G, C1H, C1I, C1J, C1K, C1L, C1M
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
N2 \\sim C11 \\sim C12 \\sim C13 \\sim C14 \\sim C15 \\sim C11A \\sim C12A
\\sim C13A \\sim C14A \\sim C15A: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 2A
C124 \\sim C125 \\sim C126: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 2A
C1O \\sim C1P \\sim C1Q \\sim C1R \\sim C1S \\sim C1T \\sim C1U: within 2A with
sigma of 0.04 and sigma for terminal atoms of 0.08 within 2A
C79 \\sim N12 \\sim C80 \\sim C81 \\sim C82 \\sim C83 \\sim C84 \\sim C85 \\sim
N12A \\sim C80A \\sim C81A \\sim C82A \\sim C83A \\sim C84A \\sim C85A: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C121 \\sim C122 \\sim C123 \\sim C1A \\sim C148: within 2A with sigma of 0.01
and sigma for terminal atoms of 0.02 within 2A
C38 \\sim N5 \\sim C39 \\sim C40 \\sim C41 \\sim C42 \\sim C43 \\sim N5A \\sim
C39A \\sim C40A \\sim C41A \\sim C42A \\sim C43A: within 2A with sigma of 0.01
and sigma for terminal atoms of 0.02 within 2A
C107 \\sim N15 \\sim C108 \\sim C109 \\sim C110 \\sim C111 \\sim C112 \\sim
C113 \\sim N15A \\sim C1B \\sim C1C \\sim C1D \\sim C1E \\sim C1F \\sim C141:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C1G \\sim C1H \\sim C1I \\sim C1J \\sim C1K \\sim C1L \\sim C1M: within 2A with
sigma of 0.04 and sigma for terminal atoms of 0.08 within 2A
C124 \\sim C125 \\sim C126 \\sim C1N \\sim C142: within 2A with sigma of 0.01
and sigma for terminal atoms of 0.02 within 2A
C33 \\sim C34: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
C132: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within
2A
N18 \\sim C133: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
Uanis(C1O) \\sim Ueq, Uanis(C1P) \\sim Ueq, Uanis(C1Q) \\sim Ueq, Uanis(C1R)
\\sim Ueq, Uanis(C1S) \\sim Ueq, Uanis(C1T) \\sim Ueq, Uanis(C1U) \\sim Ueq:
with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C1G) \\sim Ueq, Uanis(C1H) \\sim Ueq, Uanis(C1I) \\sim Ueq, Uanis(C1J)
\\sim Ueq, Uanis(C1K) \\sim Ueq, Uanis(C1L) \\sim Ueq, Uanis(C1M) \\sim Ueq:
with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C124) \\sim Ueq, Uanis(C125) \\sim Ueq, Uanis(C126) \\sim Ueq, Uanis(C1N)
\\sim Ueq, Uanis(C142) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
5. Rigid body (RIGU) restrains
 C1O, C1P, C1Q, C1R, C1S, C1T, C1U
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C1G, C1H, C1I, C1J, C1K, C1L, C1M
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Same fragment restrains
{N2, C11A, C12A, C13A, C14A, C15A} sigma for 1-2: 0.02, 1-3: 0.04
as in
{N2, C11, C12, C13, C14, C15}
{C79, N12A, C80A, C81A, C82A, C83A, C84A, C85A} sigma for 1-2: 0.02, 1-3: 0.04
as in
{C79, N12, C80, C81, C82, C83, C84, C85}
{C124, C1N, C142} sigma for 1-2: 0.02, 1-3: 0.04
as in
{C124, C125, C126}
{C38, N5A, C39A, C40A, C41A, C42A, C43A} sigma for 1-2: 0.02, 1-3: 0.04
as in
{C38, N5, C39, C40, C41, C42, C43}
7. Others
 Sof(C11A)=Sof(H11K)=Sof(H11L)=Sof(C12A)=Sof(H12Q)=Sof(H12R)=Sof(C13A)=
 Sof(H13L)=Sof(H13M)=Sof(C14A)=Sof(H14N)=Sof(H14O)=Sof(C15A)=Sof(H15C)=
 Sof(H15D)=1-FVAR(1)
 Sof(C11)=Sof(H11I)=Sof(H11J)=Sof(C12)=Sof(H12O)=Sof(H12P)=Sof(C13)=Sof(H13J)=
 Sof(H13K)=Sof(C14)=Sof(H14L)=Sof(H14M)=Sof(C15)=Sof(H15A)=Sof(H15B)=FVAR(1)
 Sof(H79C)=Sof(H79D)=Sof(N12A)=Sof(C80A)=Sof(H80C)=Sof(H80D)=Sof(C81A)=
 Sof(H81C)=Sof(H81D)=Sof(C82A)=Sof(H82C)=Sof(H82D)=Sof(C83A)=Sof(H83C)=
 Sof(H83D)=Sof(C84A)=Sof(H84C)=Sof(H84D)=Sof(C85A)=Sof(H85C)=Sof(H85D)=1-FVAR(2)
 Sof(H79A)=Sof(H79B)=Sof(N12)=Sof(C80)=Sof(H80A)=Sof(H80B)=Sof(C81)=Sof(H81A)=
 Sof(H81B)=Sof(C82)=Sof(H82A)=Sof(H82B)=Sof(C83)=Sof(H83A)=Sof(H83B)=Sof(C84)=
 Sof(H84A)=Sof(H84B)=Sof(C85)=Sof(H85A)=Sof(H85B)=FVAR(2)
 Sof(H12A)=Sof(C1A)=Sof(H1AA)=Sof(H1AB)=Sof(H1AC)=Sof(C148)=Sof(H14I)=
 Sof(H14J)=Sof(H14K)=1-FVAR(3)
 Sof(H121)=Sof(C122)=Sof(H12I)=Sof(H12J)=Sof(H12K)=Sof(C123)=Sof(H12L)=
 Sof(H12M)=Sof(H12N)=FVAR(3)
 Sof(H38C)=Sof(H38D)=Sof(N5A)=Sof(C39A)=Sof(H39C)=Sof(H39D)=Sof(C40A)=
 Sof(H40C)=Sof(H40D)=Sof(C41A)=Sof(H41C)=Sof(H41D)=Sof(C42A)=Sof(H42C)=
 Sof(H42D)=Sof(C43A)=Sof(H43C)=Sof(H43D)=1-FVAR(4)
 Sof(H38A)=Sof(H38B)=Sof(N5)=Sof(C39)=Sof(H39A)=Sof(H39B)=Sof(C40)=Sof(H40A)=
 Sof(H40B)=Sof(C41)=Sof(H41A)=Sof(H41B)=Sof(C42)=Sof(H42A)=Sof(H42B)=Sof(C43)=
 Sof(H43A)=Sof(H43B)=FVAR(4)
 Sof(H10C)=Sof(H10D)=Sof(N15A)=Sof(C1B)=Sof(H1BA)=Sof(H1BB)=Sof(C1C)=Sof(H1CA)=
 Sof(H1CB)=Sof(C1D)=Sof(H1DA)=Sof(H1DB)=Sof(C1E)=Sof(H1EA)=Sof(H1EB)=Sof(C1F)=
 Sof(H1FA)=Sof(H1FB)=Sof(C141)=Sof(H14G)=Sof(H14H)=1-FVAR(5)
 Sof(H10A)=Sof(H10B)=Sof(N15)=Sof(C108)=Sof(H10E)=Sof(H10F)=Sof(C109)=
 Sof(H10G)=Sof(H10H)=Sof(C110)=Sof(H11A)=Sof(H11B)=Sof(C111)=Sof(H11C)=
 Sof(H11D)=Sof(C112)=Sof(H11E)=Sof(H11F)=Sof(C113)=Sof(H11G)=Sof(H11H)=FVAR(5)
 Sof(H12B)=Sof(C1N)=Sof(H1NA)=Sof(H1NB)=Sof(H1NC)=Sof(C142)=Sof(H14D)=
 Sof(H14E)=Sof(H14F)=1-FVAR(6)
 Sof(H124)=Sof(C125)=Sof(H12C)=Sof(H12D)=Sof(H12E)=Sof(C126)=Sof(H12F)=
 Sof(H12G)=Sof(H12H)=FVAR(6)
 Fixed Sof: C1G(0.5) H1GA(0.5) H1GB(0.5) H1GC(0.5) C1H(0.5) C1I(0.5) H1I(0.5)
 C1J(0.5) H1J(0.5) C1K(0.5) H1K(0.5) C1L(0.5) H1L(0.5) C1M(0.5) H1M(0.5)
 C1O(0.5) H1OA(0.5) H1OB(0.5) H1OC(0.5) C1P(0.5) C1Q(0.5) H1Q(0.5) C1R(0.5)
 H1R(0.5) C1S(0.5) H1S(0.5) C1T(0.5) H1T(0.5) C1U(0.5) H1U(0.5)
8.a Ternary CH refined with riding coordinates:
 C23(H23), C26(H26), C44(H44), C51(H51), C54(H54), C93(H93), C96(H96),
 C114(H114), C121(H121), C121(H12A), C124(H124), C124(H12B)
8.b Secondary CH2 refined with riding coordinates:
 C11(H11I,H11J), C12(H12O,H12P), C13(H13J,H13K), C14(H14L,H14M), C15(H15A,
 H15B), C9(H9A,H9B), C10(H10I,H10J), C37(H37A,H37B), C38(H38A,H38B), C38(H38C,
 H38D), C39(H39A,H39B), C40(H40A,H40B), C41(H41A,H41B), C42(H42A,H42B),
 C43(H43A,H43B), C79(H79A,H79B), C79(H79C,H79D), C80(H80A,H80B), C81(H81A,H81B),
  C82(H82A,H82B), C83(H83A,H83B), C84(H84A,H84B), C85(H85A,H85B), C107(H10A,
 H10B), C107(H10C,H10D), C108(H10E,H10F), C109(H10G,H10H), C110(H11A,H11B),
 C111(H11C,H11D), C112(H11E,H11F), C113(H11G,H11H), C1B(H1BA,H1BB), C1C(H1CA,
 H1CB), C1D(H1DA,H1DB), C1E(H1EA,H1EB), C1F(H1FA,H1FB), C141(H14G,H14H),
 C39A(H39C,H39D), C40A(H40C,H40D), C41A(H41C,H41D), C42A(H42C,H42D), C43A(H43C,
 H43D), C11A(H11K,H11L), C12A(H12Q,H12R), C13A(H13L,H13M), C14A(H14N,H14O),
 C15A(H15C,H15D), C80A(H80C,H80D), C81A(H81C,H81D), C82A(H82C,H82D), C83A(H83C,
 H83D), C84A(H84C,H84D), C85A(H85C,H85D)
8.c Me refined with riding coordinates:
 C1O(H1OA,H1OB,H1OC)
8.d Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C16(H16), C19(H19), C20(H20), C21(H21),
 C32(H32), C33(H33), C34(H34), C35(H35), C47(H47), C48(H48), C49(H49), C58(H58),
  C60(H60), C61(H61), C64(H64), C65(H65), C67(H67), C68(H68), C74(H74),
 C75(H75), C76(H76), C77(H77), C86(H86), C89(H89), C90(H90), C91(H91),
 C102(H102), C103(H103), C104(H104), C105(H105), C117(H117), C118(H118),
 C119(H119), C128(H128), C130(H130), C131(H131), C134(H134), C135(H135),
 C137(H137), C138(H138), C1I(H1I), C1J(H1J), C1K(H1K), C1L(H1L), C1M(H1M),
 C1Q(H1Q), C1R(H1R), C1S(H1S), C1T(H1T), C1U(H1U)
8.e Idealised Me refined as rotating group:
 C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C27(H27A,H27B,H27C), C28(H28A,H28B,
 H28C), C52(H52A,H52B,H52C), C53(H53A,H53B,H53C), C55(H55A,H55B,H55C), C56(H56A,
 H56B,H56C), C62(H62A,H62B,H62C), C63(H63A,H63B,H63C), C69(H69A,H69B,H69C),
 C70(H70A,H70B,H70C), C94(H94A,H94B,H94C), C95(H95A,H95B,H95C), C97(H97A,H97B,
 H97C), C98(H98A,H98B,H98C), C125(H12C,H12D,H12E), C126(H12F,H12G,H12H),
 C132(H13A,H13B,H13C), C133(H13D,H13E,H13F), C139(H13G,H13H,H13I), C140(H14A,
 H14B,H14C), C122(H12I,H12J,H12K), C123(H12L,H12M,H12N), C1A(H1AA,H1AB,H1AC),
 C1N(H1NA,H1NB,H1NC), C142(H14D,H14E,H14F), C148(H14I,H14J,H14K), C1G(H1GA,H1GB,
 H1GC)
;
_shelx_res_checksum              49205
_shelx_hkl_checksum              87116
_olex2_submission_special_instructions 'No special instructions were received'