Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system
Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming; Chem. Sci.  (2017) –; doi:10.1039/C7SC03529B

data_1547532
_publ_section_title
;
 Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic
 [2]catenane structures based on a coinage metal alkynyl system
;
_journal_name_full               'Chem. Sci.'
_journal_paper_doi               10.1039/C7SC03529B
_journal_year                    2017
_chemical_formula_moiety         'C256 H336 Ag4 Au8 Cu4, 12(C6 H5 Cl)'
_chemical_formula_sum            'C328 H396 Ag4 Au8 Cl12 Cu4'
_chemical_formula_weight         7025.20
_chemical_name_systematic        4
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2016-08-04
_audit_creation_method
;
Olex2 1.2-alpha
(compiled 2016.02.24 svn.r3266 for OlexSys, GUI svn.r5155)
;
_audit_update_record
;
2016-08-18 deposited with the CCDC.
2017-09-18 downloaded from the CCDC.
;
_cell_angle_alpha                88.6930(10)
_cell_angle_beta                 83.3350(10)
_cell_angle_gamma                77.7460(10)
_cell_formula_units_Z            2
_cell_length_a                   20.2863(14)
_cell_length_b                   25.3095(17)
_cell_length_c                   30.667(2)
_cell_measurement_reflns_used    9960
_cell_measurement_temperature    100
_cell_measurement_theta_max      67.519
_cell_measurement_theta_min      2.904
_cell_volume                     15282.8(18)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.1122
_diffrn_reflns_av_unetI/netI     0.0781
_diffrn_reflns_Laue_measured_fraction_full 0.978
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            281877
_diffrn_reflns_point_group_measured_fraction_full 0.978
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        66.876
_diffrn_reflns_theta_max         66.876
_diffrn_reflns_theta_min         1.450
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    10.659
_exptl_absorpt_correction_T_max  0.3195
_exptl_absorpt_correction_T_min  0.1237
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2012/1 (Bruker,2012) was used for absorption correction. wR2(int) was 0.1544 before and 0.1105 after correction. The Ratio of minimum to maximum transmission is 0.3872. The \l/2 correction factor is 0.0015.'
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.527
_exptl_crystal_description       block
_exptl_crystal_F_000             7008
_exptl_crystal_preparation       ', Luminescent'
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: chlorobenzene'
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.16
_refine_diff_density_max         3.201
_refine_diff_density_min         -5.735
_refine_diff_density_rms         0.242
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3342
_refine_ls_number_reflns         53189
_refine_ls_number_restraints     577
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.1018
_refine_ls_R_factor_gt           0.0896
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1538P)^2^+172.1107P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2441
_refine_ls_wR_factor_ref         0.2564
_reflns_Friedel_coverage         0.000
_reflns_number_gt                43450
_reflns_number_total             53189
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7sc03529b2.cif
_cod_data_source_block           cxy465_0m
_cod_original_cell_volume        15282.7(18)
_cod_database_code               1547532
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C365-C367 = C365-C366 = C365-C368 = C189-C190 = C189-C191 = C189-C192
 1.53 with sigma of 0.02
 C348-C347 = C350-C347 = C349-C347 = C252-C249 = C251-C249 = C250-C249
 1.53 with sigma of 0.02
 C62-C61 = C355-C354 = C63-C61 = C356-C354 = C357-C354 = C64-C61
 1.53 with sigma of 0.02
 Cl0A-C323 = Cl0B-C329
 1.74 with sigma of 0.02
 C299-C300
 1.39 with sigma of 0.02
 C372-C369 = C30-C29 = C370-C369 = C31-C29 = C371-C369 = C32-C29
 1.53 with sigma of 0.02
 H34A-C348
 1.54 with sigma of 0.02
 Cl2A-C335 = Cl2B-C341
 1.74 with sigma of 0.02
 C353-C10A = C106-C105 = C351-C10A = C107-C105 = C108-C105 = C352-C10A
 1.53 with sigma of 0.02
 C366-C368 = C191-C190
 2.52 with sigma of 0.04
 C190-C192 = C368-C367
 2.52 with sigma of 0.04
 C192-C191 = C367-C366
 2.52 with sigma of 0.04
 Cl2B-C342
 2.7 with sigma of 0.04
 Cl2B-C346
 2.7 with sigma of 0.04
 C350-C349 = C251-C252
 2.52 with sigma of 0.04
 C348-C350 = C251-C250
 2.52 with sigma of 0.04
 C348-C349 = C252-C250
 2.52 with sigma of 0.04
 C355-C357 = C62-C64
 2.52 with sigma of 0.04
 C357-C356 = C64-C63
 2.52 with sigma of 0.04
 C356-C355 = C63-C62
 2.52 with sigma of 0.04
 Cl0A-C328 = Cl0B-C334
 2.7 with sigma of 0.04
 Cl0A-C324 = Cl0B-C330
 2.7 with sigma of 0.04
 C30-C32 = C372-C371
 2.52 with sigma of 0.04
 C372-C370 = C30-C31
 2.52 with sigma of 0.04
 C31-C32 = C370-C371
 2.52 with sigma of 0.04
 C359-C360 = C255-C254
 2.52 with sigma of 0.04
 C359-C361 = C254-C256
 2.52 with sigma of 0.04
 C361-C360 = C256-C255
 2.52 with sigma of 0.04
 Cl2A-C340
 2.7 with sigma of 0.04
 Cl2A-C336
 2.7 with sigma of 0.04
 C312-Cl1A
 2.7 with sigma of 0.04
 H52-H59A
 2.4 with sigma of 0.04
 H21F-H35O
 2 with sigma of 0.04
 H35M-H21F
 2 with sigma of 0.04
 H21D-H35O
 2 with sigma of 0.04
 H21D-H35M
 3.2 with sigma of 0.04
3. Restrained planarity
 Cl2B, C341, C342, C343, C344, C345, C346
 with sigma of 0.1
 Cl0A, C323, C328, C327, C326, C325, C324
 with sigma of 0.1
 Cl0B, C329, C334, C333, C332, C331, C330
 with sigma of 0.1
 Cl2A, C335, C340, C339, C338, C337, C336
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
Cl2B \\sim C341 \\sim C342 \\sim C343 \\sim C344 \\sim C345 \\sim C346: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C249 \\sim C250 \\sim C251 \\sim C252: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02
Cl6 \\sim C299 \\sim C300 \\sim C301 \\sim C302 \\sim C303 \\sim C304: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
Cl7 \\sim C308 \\sim C309 \\sim C310 \\sim C305 \\sim C306 \\sim C307: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
Cl3 \\sim C319 \\sim C320 \\sim C321 \\sim C322 \\sim C317 \\sim C318: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
Cl9 \\sim C287 \\sim C288 \\sim C289 \\sim C290 \\sim C291 \\sim C292: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
Cl10 \\sim C293 \\sim C294 \\sim C295 \\sim C296 \\sim C297 \\sim C298: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
Cl8 \\sim C258 \\sim C257 \\sim C262 \\sim C261 \\sim C260 \\sim C259: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
Cl4 \\sim C269 \\sim C270 \\sim C271 \\sim C272 \\sim C273 \\sim C274: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
Cl5 \\sim C281 \\sim C282 \\sim C283 \\sim C284 \\sim C285 \\sim C286: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
Cl0A \\sim C323 \\sim C328 \\sim C327 \\sim C326 \\sim C325 \\sim C324: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C365 \\sim C366 \\sim C367 \\sim C368: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02
Cl1A \\sim C313 \\sim C312 \\sim C311 \\sim C316 \\sim C315 \\sim C314: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C105 \\sim C106 \\sim C107 \\sim C108: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02
Uanis(Cu1A) = Uanis(Cu1)
Uanis(Cu4) = Uanis(Cu4A)
Uanis(Cu3) = Uanis(Cu3A)
Uanis(C108) = Uanis(C352)
Uanis(C107) = Uanis(C351)
Uanis(C250) = Uanis(C349)
Uanis(C80) = Uanis(C364)
Uanis(C79) = Uanis(C363)
Uanis(C78) = Uanis(C362)
Uanis(C30) = Uanis(C372)
Uanis(C32) = Uanis(C371)
Uanis(C189) = Uanis(C365)
Uanis(C191) = Uanis(C366)
Uanis(C190) = Uanis(C367)
Uanis(C192) = Uanis(C368)
Uanis(C335) = Uanis(C341)
Uanis(C340) = Uanis(C342)
Uanis(C339) = Uanis(C343)
Uanis(C338) = Uanis(C344)
Uanis(C337) = Uanis(C345)
Uanis(C336) = Uanis(C346)
Uanis(Cu2) = Uanis(Cu2A)
Uanis(C252) = Uanis(C348)
Uanis(C251) = Uanis(C350)
Uanis(C249) = Uanis(C347)
Uanis(C61) = Uanis(C354)
Uanis(C64) = Uanis(C355)
Uanis(C63) = Uanis(C356)
Uanis(C62) = Uanis(C357)
Uanis(Cl0A) = Uanis(Cl0B)
Uanis(C323) = Uanis(C329)
Uanis(C328) = Uanis(C334)
Uanis(C327) = Uanis(C333)
Uanis(C326) = Uanis(C332)
Uanis(C325) = Uanis(C331)
Uanis(C324) = Uanis(C330)
Uanis(C31) = Uanis(C370)
Uanis(C29) = Uanis(C369)
Uanis(C253) = Uanis(C358)
Uanis(C255) = Uanis(C359)
Uanis(C256) = Uanis(C360)
Uanis(C254) = Uanis(C361)
Uanis(Cl2A) = Uanis(Cl2B)
Uanis(C106) = Uanis(C353)
Uanis(C105) = Uanis(C10A)
5. Others
 Sof(Cu1)=1-FVAR(1)
 Sof(Cu1A)=FVAR(1)
 Sof(Cu4A)=1-FVAR(2)
 Sof(Cu4)=FVAR(2)
 Sof(Cu3A)=1-FVAR(3)
 Sof(Cu3)=FVAR(3)
 Sof(C351)=Sof(H35D)=Sof(H35E)=Sof(H35F)=Sof(C352)=Sof(H35G)=Sof(H35H)=
 Sof(H35I)=Sof(C353)=Sof(H35J)=Sof(H35K)=Sof(H35L)=Sof(C10A)=1-FVAR(4)
 Sof(C105)=Sof(C106)=Sof(H10D)=Sof(H10E)=Sof(H10F)=Sof(C107)=Sof(H10G)=
 Sof(H10H)=Sof(H10I)=Sof(C108)=Sof(H10J)=Sof(H10K)=Sof(H10L)=FVAR(4)
 Sof(C347)=Sof(C348)=Sof(H34A)=Sof(H34B)=Sof(H34C)=Sof(C349)=Sof(H34D)=
 Sof(H34E)=Sof(H34F)=Sof(C350)=Sof(H35A)=Sof(H35B)=Sof(H35C)=1-FVAR(5)
 Sof(C249)=Sof(C250)=Sof(H25A)=Sof(H25B)=Sof(H25C)=Sof(C251)=Sof(H25D)=
 Sof(H25E)=Sof(H25F)=Sof(C252)=Sof(H25G)=Sof(H25H)=Sof(H25I)=FVAR(5)
 Sof(C362)=Sof(H36G)=Sof(H36H)=Sof(H36I)=Sof(C363)=Sof(H36J)=Sof(H36K)=
 Sof(H36L)=Sof(C364)=Sof(H36M)=Sof(H36N)=Sof(H36O)=1-FVAR(6)
 Sof(C78)=Sof(H78A)=Sof(H78B)=Sof(H78C)=Sof(C79)=Sof(H79A)=Sof(H79B)=Sof(H79C)=
 Sof(C80)=Sof(H80A)=Sof(H80B)=Sof(H80C)=FVAR(6)
 Sof(C369)=Sof(C370)=Sof(H37A)=Sof(H37B)=Sof(H37C)=Sof(C371)=Sof(H37D)=
 Sof(H37E)=Sof(H37F)=Sof(C372)=Sof(H37G)=Sof(H37H)=Sof(H37I)=1-FVAR(7)
 Sof(C29)=Sof(C30)=Sof(H30A)=Sof(H30B)=Sof(H30C)=Sof(C31)=Sof(H31A)=Sof(H31B)=
 Sof(H31C)=Sof(C32)=Sof(H32A)=Sof(H32B)=Sof(H32C)=FVAR(7)
 Sof(C365)=Sof(C366)=Sof(H36P)=Sof(H36Q)=Sof(H36R)=Sof(C367)=Sof(H36S)=
 Sof(H36T)=Sof(H36U)=Sof(C368)=Sof(H36V)=Sof(H36W)=Sof(H36X)=1-FVAR(8)
 Sof(C189)=Sof(C190)=Sof(H19A)=Sof(H19B)=Sof(H19C)=Sof(C191)=Sof(H19D)=
 Sof(H19E)=Sof(H19F)=Sof(C192)=Sof(H19G)=Sof(H19H)=Sof(H19I)=FVAR(8)
 Sof(Cl2B)=Sof(C341)=Sof(C342)=Sof(H342)=Sof(C343)=Sof(H343)=Sof(C344)=
 Sof(H344)=Sof(C345)=Sof(H345)=Sof(C346)=Sof(H346)=1-FVAR(9)
 Sof(Cl2A)=Sof(C335)=Sof(C340)=Sof(H340)=Sof(C339)=Sof(H339)=Sof(C338)=
 Sof(H338)=Sof(C337)=Sof(H337)=Sof(C336)=Sof(H336)=FVAR(9)
 Sof(Cu2A)=1-FVAR(10)
 Sof(Cu2)=FVAR(10)
 Sof(C354)=Sof(C355)=Sof(H35M)=Sof(H35N)=Sof(H35O)=Sof(C356)=Sof(H35P)=
 Sof(H35Q)=Sof(H35R)=Sof(C357)=Sof(H35S)=Sof(H35T)=Sof(H35U)=1-FVAR(11)
 Sof(C61)=Sof(C62)=Sof(H62A)=Sof(H62B)=Sof(H62C)=Sof(C63)=Sof(H63A)=Sof(H63B)=
 Sof(H63C)=Sof(C64)=Sof(H64A)=Sof(H64B)=Sof(H64C)=FVAR(11)
 Sof(Cl0B)=Sof(C329)=Sof(C334)=Sof(H334)=Sof(C333)=Sof(H333)=Sof(C332)=
 Sof(H332)=Sof(C331)=Sof(H331)=Sof(C330)=Sof(H330)=1-FVAR(12)
 Sof(Cl0A)=Sof(C323)=Sof(C328)=Sof(H328)=Sof(C327)=Sof(H327)=Sof(C326)=
 Sof(H326)=Sof(C325)=Sof(H325)=Sof(C324)=Sof(H324)=FVAR(12)
 Sof(C358)=Sof(C359)=Sof(H35V)=Sof(H35W)=Sof(H35X)=Sof(C360)=Sof(H36A)=
 Sof(H36B)=Sof(H36C)=Sof(C361)=Sof(H36D)=Sof(H36E)=Sof(H36F)=1-FVAR(13)
 Sof(C253)=Sof(C254)=Sof(H25J)=Sof(H25K)=Sof(H25L)=Sof(C255)=Sof(H25M)=
 Sof(H25N)=Sof(H25O)=Sof(C256)=Sof(H25P)=Sof(H25Q)=Sof(H25R)=FVAR(13)
 Fixed Sof: Cl1A(0.5) C313(0.5) H313(0.5) C312(0.5) H312(0.5) C311(0.5)
 C316(0.5) H316(0.5) C315(0.5) H315(0.5) C314(0.5) H314(0.5) Cl10(0.5)
 C293(0.5) C294(0.5) H294(0.5) C295(0.5) H295(0.5) C296(0.5) H296(0.5)
 C297(0.5) H297(0.5) C298(0.5) H298(0.5)
6.a Secondary CH2 refined with riding coordinates:
 C317(H31D,H31E)
6.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C6(H6), C8(H8), C20(H20), C22(H22), C24(H24), C36(H36), C38(H38),
 C40(H40), C52(H52), C54(H54), C56(H56), C68(H68), C70(H70), C72(H72), C84(H84),
  C86(H86), C88(H88), C100(H100), C102(H102), C104(H104), C116(H116),
 C118(H118), C120(H120), C132(H132), C134(H134), C136(H136), C148(H148),
 C150(H150), C152(H152), C164(H164), C166(H166), C168(H168), C180(H180),
 C182(H182), C184(H184), C196(H196), C198(H198), C200(H200), C212(H212),
 C214(H214), C216(H216), C228(H228), C230(H230), C232(H232), C244(H244),
 C246(H246), C248(H248), C319(H319), C321(H321), C318(H318), C309(H309),
 C310(H310), C305(H305), C306(H306), C307(H307), C328(H328), C327(H327),
 C326(H326), C325(H325), C324(H324), C282(H282), C283(H283), C284(H284),
 C285(H285), C286(H286), C334(H334), C333(H333), C332(H332), C331(H331),
 C330(H330), C288(H288), C289(H289), C290(H290), C291(H291), C292(H292),
 C276(H276), C277(H277), C278(H278), C279(H279), C280(H280), C270(H270),
 C271(H271), C272(H272), C273(H273), C274(H274), C313(H313), C312(H312),
 C316(H316), C315(H315), C314(H314), C300(H300), C301(H301), C302(H302),
 C303(H303), C304(H304), C268(H268), C267(H267), C266(H266), C265(H265),
 C264(H264), C258(H258), C262(H262), C261(H261), C260(H260), C259(H259),
 C340(H340), C339(H339), C338(H338), C337(H337), C336(H336), C342(H342),
 C343(H343), C344(H344), C345(H345), C346(H346), C294(H294), C295(H295),
 C296(H296), C297(H297), C298(H298)
6.c Fitted hexagon refined as free rotating group:
 C319(C320,C321,C322,C317,C318), C308(C309,C310,C305,C306,C307), C323(C328,
 C327,C326,C325,C324), C281(C282,C283,C284,C285,C286), C329(C334,C333,C332,C331,
 C330), C287(C288,C289,C290,C291,C292), C313(C312,C311,C316,C315,C314),
 C299(C300,C301,C302,C303,C304), C263(C268,C267,C266,C265,C264), C258(C257,C262,
 C261,C260,C259), C335(C340,C339,C338,C337,C336), C341(C342,C343,C344,C345,
 C346), C293(C294,C295,C296,C297,C298)
6.d Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C14(H14A,H14B,
 H14C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C26(H26A,H26B,H26C), C27(H27A,
 H27B,H27C), C28(H28A,H28B,H28C), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C),
 C32(H32A,H32B,H32C), C42(H42A,H42B,H42C), C43(H43A,H43B,H43C), C44(H44A,H44B,
 H44C), C46(H46A,H46B,H46C), C47(H47A,H47B,H47C), C48(H48A,H48B,H48C), C58(H58A,
 H58B,H58C), C59(H59A,H59B,H59C), C60(H60A,H60B,H60C), C62(H62A,H62B,H62C),
 C63(H63A,H63B,H63C), C64(H64A,H64B,H64C), C74(H74A,H74B,H74C), C75(H75A,H75B,
 H75C), C76(H76A,H76B,H76C), C78(H78A,H78B,H78C), C79(H79A,H79B,H79C), C80(H80A,
 H80B,H80C), C90(H90A,H90B,H90C), C91(H91A,H91B,H91C), C92(H92A,H92B,H92C),
 C94(H94A,H94B,H94C), C95(H95A,H95B,H95C), C96(H96A,H96B,H96C), C106(H10D,H10E,
 H10F), C107(H10G,H10H,H10I), C108(H10J,H10K,H10L), C110(H11D,H11E,H11F),
 C111(H11G,H11H,H11I), C112(H11J,H11K,H11L), C122(H12D,H12E,H12F), C123(H12G,
 H12H,H12I), C124(H12J,H12K,H12L), C126(H12M,H12N,H12O), C127(H12P,H12Q,H12R),
 C128(H12S,H12T,H12U), C138(H13A,H13B,H13C), C139(H13D,H13E,H13F), C140(H14D,
 H14E,H14F), C142(H14G,H14H,H14I), C143(H14J,H14K,H14L), C144(H14M,H14N,H14O),
 C154(H15D,H15E,H15F), C155(H15G,H15H,H15I), C156(H15J,H15K,H15L), C158(H15M,
 H15N,H15O), C159(H15P,H15Q,H15R), C160(H16D,H16E,H16F), C170(H17A,H17B,H17C),
 C171(H17D,H17E,H17F), C172(H17G,H17H,H17I), C174(H17J,H17K,H17L), C175(H17M,
 H17N,H17O), C176(H17P,H17Q,H17R), C186(H18A,H18B,H18C), C187(H18D,H18E,H18F),
 C188(H18G,H18H,H18I), C190(H19A,H19B,H19C), C191(H19D,H19E,H19F), C192(H19G,
 H19H,H19I), C202(H20A,H20B,H20C), C203(H20D,H20E,H20F), C204(H20G,H20H,H20I),
 C206(H20J,H20K,H20L), C207(H20M,H20N,H20O), C208(H20P,H20Q,H20R), C218(H21A,
 H21B,H21C), C219(H21D,H21E,H21F), C220(H22A,H22B,H22C), C222(H22D,H22E,H22F),
 C223(H22G,H22H,H22I), C224(H22J,H22K,H22L), C234(H23A,H23B,H23C), C235(H23D,
 H23E,H23F), C236(H23G,H23H,H23I), C238(H23J,H23K,H23L), C239(H23M,H23N,H23O),
 C240(H24A,H24B,H24C), C250(H25A,H25B,H25C), C251(H25D,H25E,H25F), C252(H25G,
 H25H,H25I), C254(H25J,H25K,H25L), C255(H25M,H25N,H25O), C256(H25P,H25Q,H25R),
 C348(H34A,H34B,H34C), C349(H34D,H34E,H34F), C350(H35A,H35B,H35C), C351(H35D,
 H35E,H35F), C352(H35G,H35H,H35I), C353(H35J,H35K,H35L), C355(H35M,H35N,H35O),
 C356(H35P,H35Q,H35R), C357(H35S,H35T,H35U), C359(H35V,H35W,H35X), C360(H36A,
 H36B,H36C), C361(H36D,H36E,H36F), C362(H36G,H36H,H36I), C363(H36J,H36K,H36L),
 C364(H36M,H36N,H36O), C366(H36P,H36Q,H36R), C367(H36S,H36T,H36U), C368(H36V,
 H36W,H36X), C370(H37A,H37B,H37C), C371(H37D,H37E,H37F), C372(H37G,H37H,H37I)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'