# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_CuiPrDppbBr

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C42 H48 Br Cu P2'
_chemical_formula_moiety         'C42 H48 Br Cu P2'
_chemical_formula_weight         758.24
_chemical_melting_point          ?
_chemical_absolute_configuration ?

#==============================================================================
# CRYSTAL DATA
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P n a 21'
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_Int_Tables_number      33
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 1/2-X,1/2+Y,1/2+Z
3 1/2+X,1/2-Y,+Z
4 -X,-Y,1/2+Z
#------------------------------------------------------------------------------
_cell_length_a                   20.5325(19)
_cell_length_b                   9.3801(9)
_cell_length_c                   19.4895(15)
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_volume                     3753.6(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    14621
_cell_measurement_theta_min      1.44
_cell_measurement_theta_max      32.49
_cell_measurement_temperature    90
#------------------------------------------------------------------------------
_exptl_crystal_description       platelet
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.141
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.109
_exptl_crystal_density_diffrn    1.342
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1576.00
_exptl_absorpt_coefficient_mu    1.763
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_absorpt_correction_T_min  0.772
_exptl_absorpt_correction_T_max  0.825

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      90
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_measurement_device_type  'Rigaku Saturn70'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 7.314
_diffrn_reflns_number            24700
_diffrn_reflns_av_R_equivalents  0.0394
_diffrn_reflns_theta_max         30.03
_diffrn_reflns_theta_full        30.03
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measured_fraction_theta_full 0.981
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       19
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             9995
_reflns_number_gt                8604
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0342
_refine_ls_wR_factor_ref         0.0619
_refine_ls_number_restraints     1
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         9995
_refine_ls_number_parameters     415
_refine_ls_goodness_of_fit_ref   0.979
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0169P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         0.550
_refine_diff_density_min         -0.410
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  4465 Friedel Pairs'
_refine_ls_abs_structure_Flack   -0.013(5)

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
Br Br -0.290 2.459
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cu Cu 0.320 1.265
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.102 0.094
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Br1 Br 0.204933(12) 0.10899(2) 0.215952(13) 0.02140(6) Uani 1.0 4 d . . .
Cu1 Cu 0.218163(13) 0.35127(2) 0.224147(13) 0.01298(6) Uani 1.0 4 d . . .
P1 P 0.21301(3) 0.53106(6) 0.14646(3) 0.01188(11) Uani 1.0 4 d . . .
P2 P 0.24145(3) 0.51316(6) 0.30672(3) 0.01325(11) Uani 1.0 4 d . . .
C1 C 0.23761(12) 0.5268(3) 0.05574(11) 0.0144(5) Uani 1.0 4 d . . .
C2 C 0.29117(12) 0.4469(3) 0.03457(11) 0.0164(5) Uani 1.0 4 d . . .
C3 C 0.30432(13) 0.4390(3) -0.03613(12) 0.0208(6) Uani 1.0 4 d . . .
C4 C 0.26673(14) 0.5104(3) -0.08352(12) 0.0226(6) Uani 1.0 4 d . . .
C5 C 0.21487(13) 0.5924(3) -0.06198(12) 0.0233(6) Uani 1.0 4 d . . .
C6 C 0.20006(12) 0.5996(3) 0.00708(11) 0.0192(5) Uani 1.0 4 d . . .
C7 C 0.13288(11) 0.6157(3) 0.14370(11) 0.0142(5) Uani 1.0 4 d . . .
C8 C 0.07798(12) 0.5344(3) 0.12566(11) 0.0186(5) Uani 1.0 4 d . . .
C9 C 0.01724(13) 0.6005(3) 0.12791(13) 0.0244(6) Uani 1.0 4 d . . .
C10 C 0.00993(14) 0.7421(3) 0.14630(13) 0.0265(6) Uani 1.0 4 d . . .
C11 C 0.06426(14) 0.8226(3) 0.16215(12) 0.0232(6) Uani 1.0 4 d . . .
C12 C 0.12572(13) 0.7603(3) 0.16004(11) 0.0171(5) Uani 1.0 4 d . . .
C13 C 0.26611(12) 0.6654(3) 0.18573(11) 0.0122(5) Uani 1.0 4 d . . .
C14 C 0.29687(12) 0.7699(3) 0.14691(13) 0.0175(5) Uani 1.0 4 d . . .
C15 C 0.33937(14) 0.8659(3) 0.17708(13) 0.0217(6) Uani 1.0 4 d . . .
C16 C 0.35163(14) 0.8585(3) 0.24733(13) 0.0222(6) Uani 1.0 4 d . . .
C17 C 0.32071(13) 0.7570(3) 0.28669(13) 0.0192(6) Uani 1.0 4 d . . .
C18 C 0.27837(12) 0.6578(3) 0.25643(11) 0.0133(5) Uani 1.0 4 d . . .
C19 C 0.29844(12) 0.4953(3) 0.37906(11) 0.0151(5) Uani 1.0 4 d . . .
C20 C 0.35993(13) 0.4352(3) 0.36786(11) 0.0160(5) Uani 1.0 4 d . . .
C21 C 0.40081(12) 0.4158(3) 0.42465(11) 0.0207(6) Uani 1.0 4 d . . .
C22 C 0.38140(14) 0.4562(3) 0.49008(12) 0.0248(6) Uani 1.0 4 d . . .
C23 C 0.32138(14) 0.5181(3) 0.50012(12) 0.0244(6) Uani 1.0 4 d . . .
C24 C 0.28005(13) 0.5382(3) 0.44495(12) 0.0199(5) Uani 1.0 4 d . . .
C25 C 0.16600(12) 0.5894(3) 0.34122(11) 0.0155(5) Uani 1.0 4 d . . .
C26 C 0.12141(12) 0.5028(3) 0.37715(11) 0.0181(5) Uani 1.0 4 d . . .
C27 C 0.06092(13) 0.5631(3) 0.39427(12) 0.0250(6) Uani 1.0 4 d . . .
C28 C 0.04421(14) 0.7003(3) 0.37551(13) 0.0276(6) Uani 1.0 4 d . . .
C29 C 0.08830(14) 0.7836(3) 0.34086(12) 0.0241(6) Uani 1.0 4 d . . .
C30 C 0.14889(13) 0.7278(3) 0.32359(11) 0.0182(5) Uani 1.0 4 d . . .
C31 C 0.33872(12) 0.3773(3) 0.08410(12) 0.0188(5) Uani 1.0 4 d . . .
C32 C 0.34576(14) 0.2172(3) 0.07244(13) 0.0239(6) Uani 1.0 4 d . . .
C33 C 0.40470(14) 0.4510(3) 0.07964(15) 0.0345(7) Uani 1.0 4 d . . .
C34 C 0.08242(13) 0.3792(3) 0.10450(12) 0.0226(6) Uani 1.0 4 d . . .
C35 C 0.04596(14) 0.2828(3) 0.15540(16) 0.0329(7) Uani 1.0 4 d . . .
C36 C 0.05720(16) 0.3548(3) 0.03171(14) 0.0345(7) Uani 1.0 4 d . . .
C37 C 0.38468(11) 0.3929(3) 0.29694(11) 0.0178(5) Uani 1.0 4 d . . .
C38 C 0.39169(14) 0.2317(3) 0.28888(13) 0.0239(6) Uani 1.0 4 d . . .
C39 C 0.44861(13) 0.4708(3) 0.28022(12) 0.0259(6) Uani 1.0 4 d . . .
C40 C 0.13627(12) 0.3513(3) 0.39927(11) 0.0193(5) Uani 1.0 4 d . . .
C41 C 0.13340(15) 0.3346(3) 0.47756(12) 0.0268(6) Uani 1.0 4 d . . .
C42 C 0.08953(14) 0.2443(3) 0.36569(13) 0.0270(6) Uani 1.0 4 d . . .
H3 H 0.3400 0.3831 -0.0516 0.0249 Uiso 1.0 4 calc R . .
H4 H 0.2766 0.5033 -0.1310 0.0271 Uiso 1.0 4 calc R . .
H5 H 0.1895 0.6435 -0.0944 0.0280 Uiso 1.0 4 calc R . .
H6 H 0.1638 0.6547 0.0218 0.0230 Uiso 1.0 4 calc R . .
H9 H -0.0204 0.5465 0.1165 0.0292 Uiso 1.0 4 calc R . .
H10 H -0.0322 0.7838 0.1480 0.0318 Uiso 1.0 4 calc R . .
H11 H 0.0597 0.9201 0.1744 0.0278 Uiso 1.0 4 calc R . .
H12 H 0.1631 0.8163 0.1698 0.0205 Uiso 1.0 4 calc R . .
H14 H 0.2886 0.7755 0.0990 0.0210 Uiso 1.0 4 calc R . .
H15 H 0.3601 0.9367 0.1499 0.0261 Uiso 1.0 4 calc R . .
H16 H 0.3812 0.9234 0.2680 0.0266 Uiso 1.0 4 calc R . .
H17 H 0.3281 0.7541 0.3348 0.0230 Uiso 1.0 4 calc R . .
H21 H 0.4426 0.3742 0.4183 0.0248 Uiso 1.0 4 calc R . .
H22 H 0.4096 0.4412 0.5280 0.0297 Uiso 1.0 4 calc R . .
H23 H 0.3084 0.5469 0.5448 0.0293 Uiso 1.0 4 calc R . .
H24 H 0.2388 0.5815 0.4519 0.0239 Uiso 1.0 4 calc R . .
H27 H 0.0305 0.5077 0.4196 0.0300 Uiso 1.0 4 calc R . .
H28 H 0.0024 0.7369 0.3865 0.0332 Uiso 1.0 4 calc R . .
H29 H 0.0775 0.8788 0.3287 0.0289 Uiso 1.0 4 calc R . .
H30 H 0.1791 0.7855 0.2993 0.0218 Uiso 1.0 4 calc R . .
H31 H 0.3216 0.3918 0.1316 0.0226 Uiso 1.0 4 calc R . .
H32A H 0.3614 0.1998 0.0257 0.0286 Uiso 1.0 4 calc R . .
H32B H 0.3034 0.1709 0.0788 0.0286 Uiso 1.0 4 calc R . .
H32C H 0.3771 0.1780 0.1054 0.0286 Uiso 1.0 4 calc R . .
H33A H 0.3998 0.5520 0.0914 0.0414 Uiso 1.0 4 calc R . .
H33B H 0.4217 0.4424 0.0329 0.0414 Uiso 1.0 4 calc R . .
H33C H 0.4350 0.4059 0.1118 0.0414 Uiso 1.0 4 calc R . .
H34 H 0.1294 0.3513 0.1054 0.0271 Uiso 1.0 4 calc R . .
H35A H -0.0002 0.3095 0.1564 0.0394 Uiso 1.0 4 calc R . .
H35B H 0.0647 0.2943 0.2013 0.0394 Uiso 1.0 4 calc R . .
H35C H 0.0501 0.1831 0.1409 0.0394 Uiso 1.0 4 calc R . .
H36A H 0.0104 0.3752 0.0301 0.0414 Uiso 1.0 4 calc R . .
H36B H 0.0648 0.2554 0.0184 0.0414 Uiso 1.0 4 calc R . .
H36C H 0.0802 0.4182 -0.0001 0.0414 Uiso 1.0 4 calc R . .
H37 H 0.3515 0.4253 0.2628 0.0214 Uiso 1.0 4 calc R . .
H38A H 0.4211 0.1950 0.3243 0.0287 Uiso 1.0 4 calc R . .
H38B H 0.4096 0.2100 0.2434 0.0287 Uiso 1.0 4 calc R . .
H38C H 0.3489 0.1865 0.2937 0.0287 Uiso 1.0 4 calc R . .
H39A H 0.4688 0.4271 0.2398 0.0310 Uiso 1.0 4 calc R . .
H39B H 0.4783 0.4634 0.3194 0.0310 Uiso 1.0 4 calc R . .
H39C H 0.4394 0.5714 0.2708 0.0310 Uiso 1.0 4 calc R . .
H40 H 0.1815 0.3277 0.3840 0.0231 Uiso 1.0 4 calc R . .
H41A H 0.0897 0.3590 0.4939 0.0321 Uiso 1.0 4 calc R . .
H41B H 0.1654 0.3983 0.4989 0.0321 Uiso 1.0 4 calc R . .
H41C H 0.1434 0.2357 0.4899 0.0321 Uiso 1.0 4 calc R . .
H42A H 0.1031 0.1470 0.3772 0.0323 Uiso 1.0 4 calc R . .
H42B H 0.0904 0.2568 0.3158 0.0323 Uiso 1.0 4 calc R . .
H42C H 0.0452 0.2608 0.3826 0.0323 Uiso 1.0 4 calc R . .



#==============================================================================
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalClear
_computing_structure_solution    'SIR2004 (Burla, et al., 2005)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_molecular_graphics    'CrystalStructure 4.0'


#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Br1 Cu1 2.2944(4) yes . .
Cu1 P1 2.2689(7) yes . .
Cu1 P2 2.2637(7) yes . .
P1 C1 1.839(3) yes . .
P1 C7 1.828(3) yes . .
P1 C13 1.834(3) yes . .
P2 C18 1.838(3) yes . .
P2 C19 1.840(3) yes . .
P2 C25 1.834(3) yes . .
C1 C2 1.394(4) yes . .
C1 C6 1.400(4) yes . .
C2 C3 1.406(4) yes . .
C2 C31 1.520(4) yes . .
C3 C4 1.378(4) yes . .
C4 C5 1.379(4) yes . .
C5 C6 1.382(4) yes . .
C7 C8 1.406(4) yes . .
C7 C12 1.401(3) yes . .
C8 C9 1.393(4) yes . .
C8 C34 1.516(4) yes . .
C9 C10 1.385(4) yes . .
C10 C11 1.382(4) yes . .
C11 C12 1.391(4) yes . .
C13 C14 1.390(4) yes . .
C13 C18 1.403(3) yes . .
C14 C15 1.385(4) yes . .
C15 C16 1.394(4) yes . .
C16 C17 1.378(4) yes . .
C17 C18 1.403(4) yes . .
C19 C20 1.400(4) yes . .
C19 C24 1.398(4) yes . .
C20 C21 1.401(4) yes . .
C20 C37 1.525(3) yes . .
C21 C22 1.389(4) yes . .
C22 C23 1.376(4) yes . .
C23 C24 1.383(4) yes . .
C25 C26 1.410(4) yes . .
C25 C30 1.388(4) yes . .
C26 C27 1.405(4) yes . .
C26 C40 1.516(4) yes . .
C27 C28 1.381(4) yes . .
C28 C29 1.374(4) yes . .
C29 C30 1.391(4) yes . .
C31 C32 1.526(4) yes . .
C31 C33 1.523(4) yes . .
C34 C35 1.537(4) yes . .
C34 C36 1.527(4) yes . .
C37 C38 1.528(4) yes . .
C37 C39 1.537(4) yes . .
C40 C41 1.535(4) yes . .
C40 C42 1.535(4) yes . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
Br1 Cu1 P1 133.18(2) yes . . .
Br1 Cu1 P2 137.64(2) yes . . .
P1 Cu1 P2 89.18(3) yes . . .
Cu1 P1 C1 127.78(8) yes . . .
Cu1 P1 C7 112.62(8) yes . . .
Cu1 P1 C13 101.80(8) yes . . .
C1 P1 C7 103.20(11) yes . . .
C1 P1 C13 104.64(11) yes . . .
C7 P1 C13 104.41(11) yes . . .
Cu1 P2 C18 101.73(8) yes . . .
Cu1 P2 C19 128.18(8) yes . . .
Cu1 P2 C25 110.11(8) yes . . .
C18 P2 C19 102.33(11) yes . . .
C18 P2 C25 104.83(11) yes . . .
C19 P2 C25 106.96(11) yes . . .
P1 C1 C2 120.86(17) yes . . .
P1 C1 C6 119.31(18) yes . . .
C2 C1 C6 119.8(2) yes . . .
C1 C2 C3 118.0(3) yes . . .
C1 C2 C31 123.3(2) yes . . .
C3 C2 C31 118.5(3) yes . . .
C2 C3 C4 121.6(3) yes . . .
C3 C4 C5 120.0(3) yes . . .
C4 C5 C6 119.6(3) yes . . .
C1 C6 C5 121.0(3) yes . . .
P1 C7 C8 119.56(17) yes . . .
P1 C7 C12 120.56(18) yes . . .
C8 C7 C12 119.9(3) yes . . .
C7 C8 C9 117.9(3) yes . . .
C7 C8 C34 122.8(3) yes . . .
C9 C8 C34 119.3(3) yes . . .
C8 C9 C10 122.2(3) yes . . .
C9 C10 C11 119.6(3) yes . . .
C10 C11 C12 119.8(3) yes . . .
C7 C12 C11 120.6(3) yes . . .
P1 C13 C14 121.84(18) yes . . .
P1 C13 C18 118.81(18) yes . . .
C14 C13 C18 119.3(3) yes . . .
C13 C14 C15 120.9(3) yes . . .
C14 C15 C16 119.9(3) yes . . .
C15 C16 C17 119.9(3) yes . . .
C16 C17 C18 120.6(3) yes . . .
P2 C18 C13 119.17(18) yes . . .
P2 C18 C17 121.39(17) yes . . .
C13 C18 C17 119.4(3) yes . . .
P2 C19 C20 119.39(17) yes . . .
P2 C19 C24 120.41(19) yes . . .
C20 C19 C24 120.2(3) yes . . .
C19 C20 C21 118.0(2) yes . . .
C19 C20 C37 123.1(2) yes . . .
C21 C20 C37 118.9(3) yes . . .
C20 C21 C22 121.2(3) yes . . .
C21 C22 C23 120.2(3) yes . . .
C22 C23 C24 119.8(3) yes . . .
C19 C24 C23 120.6(3) yes . . .
P2 C25 C26 120.39(18) yes . . .
P2 C25 C30 119.19(18) yes . . .
C26 C25 C30 119.8(3) yes . . .
C25 C26 C27 117.4(3) yes . . .
C25 C26 C40 123.4(3) yes . . .
C27 C26 C40 119.2(3) yes . . .
C26 C27 C28 122.1(3) yes . . .
C27 C28 C29 119.8(3) yes . . .
C28 C29 C30 119.6(3) yes . . .
C25 C30 C29 121.2(3) yes . . .
C2 C31 C32 112.9(2) yes . . .
C2 C31 C33 109.9(2) yes . . .
C32 C31 C33 110.7(2) yes . . .
C8 C34 C35 111.1(2) yes . . .
C8 C34 C36 112.1(2) yes . . .
C35 C34 C36 110.3(3) yes . . .
C20 C37 C38 112.45(19) yes . . .
C20 C37 C39 110.68(19) yes . . .
C38 C37 C39 111.6(2) yes . . .
C26 C40 C41 111.75(19) yes . . .
C26 C40 C42 111.4(2) yes . . .
C41 C40 C42 109.5(2) yes . . .



#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.

#==============================================================================
#     End of CIF
#==============================================================================
_database_code_depnum_ccdc_archive 'CCDC 1015806'
