#------------------------------------------------------------------------------
#$Date: 2019-10-02 15:09:40 +0300 (Wed, 02 Oct 2019) $
#$Revision: 219030 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/06/14/4061448.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_4061448
loop_
_publ_author_name
'Oberbeckmann-Winter, Nicola'
'Braunstein, Pierre'
'Welter, Richard'
_publ_section_title
;
 Palladium Phosphino-Iminolate Complexes as Metalloligands for Coinage Metals:
 A Versatile, Ambivalent Behavior
;
_journal_coden_ASTM              ORGND7
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              3149
_journal_page_last               3157
_journal_paper_doi               10.1021/om050156d
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C46 H50 Au N4 O2 P2 Pd2, B F4, 2(C H2 Cl2)'
_chemical_formula_sum            'C48 H54 Au B Cl4 F4 N4 O2 P2 Pd2'
_chemical_formula_weight         1419.27
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.27(5)
_cell_angle_beta                 92.78(4)
_cell_angle_gamma                99.31(9)
_cell_formula_units_Z            2
_cell_length_a                   10.08600(10)
_cell_length_b                   13.2050(2)
_cell_length_c                   21.2590(3)
_cell_measurement_temperature    173(2)
_cell_volume                     2790.6(7)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.689
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-02
;
_cod_database_code               4061448
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au Au 0.70014(2) 0.053164(17) 0.175352(9) 0.02055(7) Uani 1 1 d . . .
Pd2 Pd 0.54095(4) -0.09824(3) 0.380461(19) 0.02078(10) Uani 1 1 d . . .
Pd1 Pd 0.87955(4) 0.27530(3) -0.003279(19) 0.01980(10) Uani 1 1 d . . .
P1 P 0.74494(14) 0.23101(11) 0.07406(6) 0.0189(3) Uani 1 1 d . . .
P2 P 0.68535(14) -0.00779(12) 0.31942(6) 0.0200(3) Uani 1 1 d . . .
C45 C 1.0705(6) -0.0291(5) 0.2751(3) 0.0317(15) Uani 1 1 d . . .
H45 H 1.1498 0.0148 0.2638 0.038 Uiso 1 1 calc . . .
N2 N 0.8028(4) 0.1256(4) 0.1040(2) 0.0180(9) Uani 1 1 d . . .
N4 N 0.5980(4) -0.0150(4) 0.2482(2) 0.0208(10) Uani 1 1 d . . .
O1 O 0.9675(4) 0.1492(3) 0.03240(18) 0.0250(9) Uani 1 1 d . . .
O2 O 0.4159(4) -0.0980(3) 0.29659(18) 0.0287(10) Uani 1 1 d . . .
C18 C 0.7607(6) 0.3196(4) 0.1405(3) 0.0243(12) Uani 1 1 d . . .
N3 N 0.3949(5) -0.1788(4) 0.4391(2) 0.0275(11) Uani 1 1 d . . .
C16 C 0.3365(6) 0.1467(5) 0.0817(3) 0.0351(15) Uani 1 1 d . . .
H16 H 0.2684 0.1472 0.1110 0.042 Uiso 1 1 calc . . .
C33 C 0.4708(6) -0.0612(5) 0.2482(3) 0.0234(12) Uani 1 1 d . . .
C10 C 0.9119(5) 0.1015(4) 0.0773(2) 0.0215(11) Uani 1 1 d . . .
C41 C 0.8406(6) -0.0525(5) 0.3029(2) 0.0234(12) Uani 1 1 d . . .
C12 C 0.5680(5) 0.1875(5) 0.0555(3) 0.0226(11) Uani 1 1 d . . .
C30 C 0.4405(7) -0.1454(5) 0.5049(3) 0.0310(14) Uani 1 1 d . . .
H30A H 0.4096 -0.0799 0.5147 0.037 Uiso 1 1 calc . . .
H30B H 0.4012 -0.1976 0.5349 0.037 Uiso 1 1 calc . . .
C2 C 0.6645(7) 0.4108(5) -0.0318(3) 0.0341(15) Uani 1 1 d . . .
H2 H 0.6043 0.3656 -0.0078 0.041 Uiso 1 1 calc . . .
C11 C 0.9710(6) 0.0115(5) 0.1038(3) 0.0293(14) Uani 1 1 d . . .
H11A H 1.0201 -0.0174 0.0713 0.044 Uiso 1 1 calc . . .
H11B H 0.8984 -0.0411 0.1174 0.044 Uiso 1 1 calc . . .
H11C H 1.0328 0.0347 0.1399 0.044 Uiso 1 1 calc . . .
N1 N 1.0181(5) 0.3216(4) -0.0747(2) 0.0260(11) Uani 1 1 d . . .
C1 C 0.7944(6) 0.3909(4) -0.0377(2) 0.0231(12) Uani 1 1 d . . .
C25 C 0.8009(6) -0.0894(5) 0.4628(3) 0.0293(13) Uani 1 1 d . . .
H25 H 0.8511 -0.0709 0.4268 0.035 Uiso 1 1 calc . . .
C23 C 0.8682(6) 0.3187(5) 0.1851(3) 0.0296(13) Uani 1 1 d . . .
H23 H 0.9240 0.2675 0.1827 0.035 Uiso 1 1 calc . . .
C35 C 0.7231(5) 0.1279(5) 0.3385(3) 0.0223(11) Uani 1 1 d . . .
C6 C 0.8787(7) 0.4566(5) -0.0747(3) 0.0293(13) Uani 1 1 d . . .
C34 C 0.3896(6) -0.0694(6) 0.1864(3) 0.0355(15) Uani 1 1 d . . .
H34A H 0.3604 -0.1419 0.1752 0.053 Uiso 1 1 calc . . .
H34B H 0.4450 -0.0358 0.1535 0.053 Uiso 1 1 calc . . .
H34C H 0.3106 -0.0358 0.1905 0.053 Uiso 1 1 calc . . .
C44 C 1.0698(6) -0.1349(6) 0.2791(3) 0.0369(16) Uani 1 1 d . . .
H44 H 1.1492 -0.1627 0.2725 0.044 Uiso 1 1 calc . . .
C36 C 0.6344(6) 0.1927(5) 0.3181(3) 0.0270(12) Uani 1 1 d . . .
H36 H 0.5610 0.1682 0.2894 0.032 Uiso 1 1 calc . . .
C8 C 0.9670(7) 0.2692(5) -0.1349(3) 0.0340(15) Uani 1 1 d . . .
H8A H 0.8767 0.2842 -0.1458 0.051 Uiso 1 1 calc . . .
H8B H 0.9629 0.1949 -0.1303 0.051 Uiso 1 1 calc . . .
H8C H 1.0274 0.2937 -0.1683 0.051 Uiso 1 1 calc . . .
C14 C 0.4007(7) 0.1073(6) -0.0213(3) 0.0370(15) Uani 1 1 d . . .
H14 H 0.3780 0.0796 -0.0625 0.044 Uiso 1 1 calc . . .
C24 C 0.6609(6) -0.1033(4) 0.4574(2) 0.0219(11) Uani 1 1 d . . .
C9 C 1.1541(7) 0.3005(6) -0.0593(3) 0.0416(17) Uani 1 1 d . . .
H9A H 1.1885 0.3349 -0.0195 0.062 Uiso 1 1 calc . . .
H9B H 1.2133 0.3260 -0.0930 0.062 Uiso 1 1 calc . . .
H9C H 1.1515 0.2263 -0.0552 0.062 Uiso 1 1 calc . . .
C7 C 1.0206(6) 0.4351(5) -0.0815(3) 0.0301(14) Uani 1 1 d . . .
H7A H 1.0528 0.4576 -0.1232 0.036 Uiso 1 1 calc . . .
H7B H 1.0822 0.4730 -0.0485 0.036 Uiso 1 1 calc . . .
C28 C 0.6582(7) -0.1449(6) 0.5686(3) 0.0425(18) Uani 1 1 d . . .
H28 H 0.6089 -0.1643 0.6047 0.051 Uiso 1 1 calc . . .
C27 C 0.7974(8) -0.1299(6) 0.5732(3) 0.047(2) Uani 1 1 d . . .
H27 H 0.8435 -0.1386 0.6124 0.056 Uiso 1 1 calc . . .
C19 C 0.6805(7) 0.3960(5) 0.1449(3) 0.0347(15) Uani 1 1 d . . .
H19 H 0.6090 0.3978 0.1144 0.042 Uiso 1 1 calc . . .
C29 C 0.5893(6) -0.1317(5) 0.5113(3) 0.0248(12) Uani 1 1 d . . .
C15 C 0.3021(6) 0.1060(5) 0.0216(3) 0.0355(15) Uani 1 1 d . . .
H15 H 0.2115 0.0775 0.0102 0.043 Uiso 1 1 calc . . .
C43 C 0.9527(7) -0.1982(6) 0.2927(3) 0.0378(16) Uani 1 1 d . . .
H43 H 0.9500 -0.2704 0.2929 0.045 Uiso 1 1 calc . . .
C46 C 0.9585(6) 0.0112(5) 0.2873(3) 0.0278(13) Uani 1 1 d . . .
H46 H 0.9606 0.0833 0.2852 0.033 Uiso 1 1 calc . . .
C5 C 0.8360(8) 0.5418(5) -0.1035(3) 0.0403(17) Uani 1 1 d . . .
H5 H 0.8954 0.5859 -0.1286 0.048 Uiso 1 1 calc . . .
C42 C 0.8390(6) -0.1575(5) 0.3059(3) 0.0344(15) Uani 1 1 d . . .
H42 H 0.7598 -0.2016 0.3171 0.041 Uiso 1 1 calc . . .
C17 C 0.4690(6) 0.1865(5) 0.0994(3) 0.0275(13) Uani 1 1 d . . .
H17 H 0.4921 0.2127 0.1409 0.033 Uiso 1 1 calc . . .
C32 C 0.2569(7) -0.1571(7) 0.4244(4) 0.049(2) Uani 1 1 d . . .
H32A H 0.2283 -0.1795 0.3811 0.074 Uiso 1 1 calc . . .
H32B H 0.2565 -0.0832 0.4286 0.074 Uiso 1 1 calc . . .
H32C H 0.1949 -0.1941 0.4537 0.074 Uiso 1 1 calc . . .
C40 C 0.8321(6) 0.1675(5) 0.3798(3) 0.0328(14) Uani 1 1 d . . .
H40 H 0.8937 0.1244 0.3943 0.039 Uiso 1 1 calc . . .
C13 C 0.5328(6) 0.1490(5) -0.0045(3) 0.0314(14) Uani 1 1 d . . .
H13 H 0.5998 0.1512 -0.0346 0.038 Uiso 1 1 calc . . .
C26 C 0.8685(7) -0.1023(6) 0.5204(3) 0.0402(17) Uani 1 1 d . . .
H26 H 0.9641 -0.0920 0.5232 0.048 Uiso 1 1 calc . . .
F1 F 1.1568(5) 0.2241(5) 0.1923(3) 0.0833(19) Uani 1 1 d . . .
C22 C 0.8923(7) 0.3923(6) 0.2324(3) 0.0401(17) Uani 1 1 d . . .
H22 H 0.9650 0.3923 0.2626 0.048 Uiso 1 1 calc . . .
C4 C 0.7077(9) 0.5615(6) -0.0954(3) 0.047(2) Uani 1 1 d . . .
H4 H 0.6795 0.6204 -0.1139 0.057 Uiso 1 1 calc . . .
C31 C 0.3970(8) -0.2910(6) 0.4336(3) 0.0452(19) Uani 1 1 d . . .
H31A H 0.3687 -0.3145 0.3905 0.068 Uiso 1 1 calc . . .
H31B H 0.3353 -0.3278 0.4631 0.068 Uiso 1 1 calc . . .
H31C H 0.4883 -0.3044 0.4436 0.068 Uiso 1 1 calc . . .
C3 C 0.6195(8) 0.4953(6) -0.0601(4) 0.0437(18) Uani 1 1 d . . .
H3 H 0.5301 0.5072 -0.0553 0.052 Uiso 1 1 calc . . .
C39 C 0.8497(7) 0.2672(6) 0.3991(3) 0.0424(18) Uani 1 1 d . . .
H39 H 0.9247 0.2937 0.4265 0.051 Uiso 1 1 calc . . .
F3 F 1.3178(6) 0.1661(5) 0.2511(3) 0.093(2) Uani 1 1 d . . .
C38 C 0.7599(9) 0.3300(6) 0.3794(4) 0.048(2) Uani 1 1 d . . .
H38 H 0.7723 0.3994 0.3935 0.057 Uiso 1 1 calc . . .
F4 F 1.1690(8) 0.2475(6) 0.2931(3) 0.114(3) Uani 1 1 d . . .
C20 C 0.7026(8) 0.4675(5) 0.1915(4) 0.0420(17) Uani 1 1 d . . .
H20 H 0.6459 0.5181 0.1943 0.050 Uiso 1 1 calc . . .
F2 F 1.3308(8) 0.3334(5) 0.2340(3) 0.117(3) Uani 1 1 d . . .
C37 C 0.6535(8) 0.2925(6) 0.3397(3) 0.0410(17) Uani 1 1 d . . .
H37 H 0.5912 0.3360 0.3267 0.049 Uiso 1 1 calc . . .
B B 1.2452(10) 0.2449(7) 0.2431(4) 0.048(2) Uani 1 1 d . . .
C21 C 0.8094(9) 0.4662(6) 0.2355(4) 0.052(2) Uani 1 1 d . . .
H21 H 0.8256 0.5168 0.2681 0.062 Uiso 1 1 calc . . .
Cl1 Cl 0.7839(4) 0.3899(3) -0.26720(19) 0.1373(17) Uani 1 1 d D . .
Cl2 Cl 0.5050(6) 0.3271(4) -0.2388(4) 0.229(3) Uani 1 1 d D . .
C47 C 0.6471(8) 0.4159(9) -0.2304(8) 0.223(13) Uani 1 1 d D . .
H47A H 0.6718 0.4251 -0.1848 0.267 Uiso 1 1 calc . . .
H47B H 0.6259 0.4821 -0.2461 0.267 Uiso 1 1 calc . . .
Cl3 Cl 0.9536(8) -0.3874(7) 0.4277(4) 0.127(3) Uiso 0.50 1 d PD . .
Cl6 Cl 0.8683(10) -0.4815(8) 0.5887(5) 0.148(3) Uiso 0.50 1 d PD . .
Cl4 Cl 0.6905(6) -0.3958(4) 0.3739(3) 0.0767(14) Uiso 0.50 1 d PD . .
C48 C 0.7905(10) -0.380(3) 0.4411(5) 0.165(15) Uiso 0.50 1 d PD . .
H48A H 0.7857 -0.3127 0.4604 0.198 Uiso 0.50 1 calc P . .
H48B H 0.7566 -0.4339 0.4714 0.198 Uiso 0.50 1 calc P . .
C49 C 0.7500(10) -0.4067(17) 0.6018(15) 0.163(14) Uiso 0.50 1 d PD . .
H49A H 0.7466 -0.3989 0.6480 0.196 Uiso 0.50 1 calc P . .
H49B H 0.7838 -0.3378 0.5854 0.196 Uiso 0.50 1 calc P . .
Cl5 Cl 0.5888(5) -0.4402(4) 0.5727(3) 0.0722(13) Uiso 0.50 1 d PD . .
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
Au N4 2.034(4) . ?
Au N2 2.033(4) . ?
Pd2 C24 1.995(5) . ?
Pd2 N3 2.131(5) . ?
Pd2 O2 2.134(4) . ?
Pd2 P2 2.206(2) . ?
Pd1 C1 1.995(6) . ?
Pd1 O1 2.136(4) . ?
Pd1 N1 2.138(5) . ?
Pd1 P1 2.2039(17) . ?
P1 N2 1.708(5) . ?
P1 C12 1.808(6) . ?
P1 C18 1.815(6) . ?
P2 N4 1.709(5) . ?
P2 C41 1.810(6) . ?
P2 C35 1.810(6) . ?
C45 C46 1.360(8) . ?
C45 C44 1.398(10) . ?
C45 H45 0.9500 . ?
N2 C10 1.344(7) . ?
N4 C33 1.328(7) . ?
O1 C10 1.250(6) . ?
O2 C33 1.255(6) . ?
C18 C19 1.396(9) . ?
C18 C23 1.408(8) . ?
N3 C31 1.488(9) . ?
N3 C32 1.485(9) . ?
N3 C30 1.493(8) . ?
C16 C15 1.389(10) . ?
C16 C17 1.388(9) . ?
C16 H16 0.9500 . ?
C33 C34 1.507(8) . ?
C10 C11 1.513(8) . ?
C41 C42 1.386(9) . ?
C41 C46 1.396(8) . ?
C12 C13 1.379(8) . ?
C12 C17 1.399(8) . ?
C30 C29 1.482(9) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C2 C1 1.388(8) . ?
C2 C3 1.399(9) . ?
C2 H2 0.9500 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
N1 C9 1.465(8) . ?
N1 C8 1.481(8) . ?
N1 C7 1.502(8) . ?
C1 C6 1.388(8) . ?
C25 C24 1.393(8) . ?
C25 C26 1.396(8) . ?
C25 H25 0.9500 . ?
C23 C22 1.380(9) . ?
C23 H23 0.9500 . ?
C35 C36 1.391(8) . ?
C35 C40 1.403(8) . ?
C6 C5 1.401(9) . ?
C6 C7 1.517(9) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C44 C43 1.375(10) . ?
C44 H44 0.9500 . ?
C36 C37 1.374(10) . ?
C36 H36 0.9500 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C14 C15 1.380(9) . ?
C14 C13 1.386(9) . ?
C14 H14 0.9500 . ?
C24 C29 1.404(7) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C28 C27 1.384(10) . ?
C28 C29 1.399(8) . ?
C28 H28 0.9500 . ?
C27 C26 1.381(10) . ?
C27 H27 0.9500 . ?
C19 C20 1.351(10) . ?
C19 H19 0.9500 . ?
C15 H15 0.9500 . ?
C43 C42 1.383(9) . ?
C43 H43 0.9500 . ?
C46 H46 0.9500 . ?
C5 C4 1.379(10) . ?
C5 H5 0.9500 . ?
C42 H42 0.9500 . ?
C17 H17 0.9500 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C40 C39 1.358(10) . ?
C40 H40 0.9500 . ?
C13 H13 0.9500 . ?
C26 H26 0.9500 . ?
F1 B 1.363(11) . ?
C22 C21 1.388(12) . ?
C22 H22 0.9500 . ?
C4 C3 1.393(10) . ?
C4 H4 0.9500 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C3 H3 0.9500 . ?
C39 C38 1.377(11) . ?
C39 H39 0.9500 . ?
F3 B 1.372(11) . ?
C38 C37 1.358(11) . ?
C38 H38 0.9500 . ?
F4 B 1.346(11) . ?
C20 C21 1.393(12) . ?
C20 H20 0.9500 . ?
F2 B 1.356(11) . ?
C37 H37 0.9500 . ?
C21 H21 0.9500 . ?
Cl1 C47 1.700(12) . ?
Cl2 C47 1.700(12) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
Cl3 C48 1.7001(10) . ?
Cl6 C49 1.6998(15) . ?
Cl4 C48 1.7003(12) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C49 Cl5 1.6999(13) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
