Synthesis and mol­ecular structure of biologically significant bis­(1,3-dimesityl-4,5-naphtho­quino­imidazol-2-yl­idene)gold(I) complexes with chloride and dichloridoaurate counter-ions

Diffraction-quality single crystals of two gold(I) complexes, namely bis­(1,3-di­mesityl-4,5-naphtho­quinoimidazol-2-yl­idene)gold(I) chloride benzene monosolvate, [Au(C₂₉H₂₆N₂O₂)₂]Cl·C₆H₆ or [(NQMes)₂Au]Cl·C₆H₆, 2, and bis­(1,3-dimesityl-4,5-naphtho­quino­imid­azol-2-yl­idene)gold(I) dichloridoaurate(I) di­chloro­methane disolvate, [Au(C₂₉H₂₆N₂O₂)₂][AuCl₂]·2CH₂Cl₂ or [(NQMes)₂Au][AuCl₂]·2CH₂Cl₂, 4, were isolated and studied with the aid of single-crystal X-ray diffraction analysis. Compound 2 crystallizes in a monoclinic space group C2/c with eight mol­ecules in the unit cell, while compound 4 crystallizes in the triclinic space group P with two mol­ecules in the unit cell. The crystal lattice of compound 2 reveals C—H...Cl⁻ inter­actions that are present throughout the entire structure representing head-to-tail contacts between the aromatic (C—H) hydrogens of naphtho­quinone and Cl⁻ counter-ions. Compound 4 stacks with the aid of short inter­actions between a naphtho­quinone O atom of one mol­ecule and the mesityl methyl group of another molecule along the a axis, leading to a one-dimensional strand that is held together by strong π–η² inter­actions between the imidazolium backbone and the [AuCl₂]⁻ counter-ion. The bond angles defined by the Au^I atom and two carbene C atoms [C(carbene)—Au—C(carbene)] in compounds 2 and 4 are nearly rectilinear, with an average value of ∼174.1 [2]°. Though 2 and 4 share the same cation, they differ in their counter-anion, which alters the crystal lattice of the two compounds. The knowledge gleaned from these studies is expected to be useful in understanding the mol­ecular inter­actions of 2 and 4 under physiological conditions.

Computing details

For both structures, data collection: APEX2 (Bruker, 2014a); cell refinement: APEX2 (Bruker, 2014a); data reduction: SAINT (Bruker, 2014b); program(s) used to solve structure: SHELXT (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2017 (Sheldrick, 2015b); molecular graphics: OLEX2 (Dolomanov et al., 2009); software used to prepare material for publication: OLEX2 (Dolomanov et al., 2009), PLATON (Spek, 2009) and Mercury (Macrae et al., 2008)'.

Bis(1,3-dimesityl-4,5-naphthoquinoimidazol-2-ylidene)gold(I) chloride benzene monosolvate (shelx_c2_c)

Crystal data

[Au(C29H26N2O2)2]Cl·C6H6	F(000) = 4784
Mr = 1179.56	Dx = 1.341 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
a = 24.368 (3) Å	Cell parameters from 7468 reflections
b = 14.7921 (18) Å	θ = 19.9–2.3°
c = 33.349 (4) Å	µ = 2.61 mm^−1
β = 103.630 (5)°	T = 183 K
V = 11682 (3) Å^3	Plate, yellow
Z = 8	0.56 × 0.50 × 0.20 mm

Data collection

Bruker SMART X2S benchtop diffractometer	7749 reflections with I > 2σ(I)
Radiation source: XOS X-beam microfocus source	Rint = 0.127
ω scans	θmax = 25.0°, θmin = 2.2°
Absorption correction: multi-scan (SADABS; Bruker, 2014)	h = −28→28
Tmin = 0.444, Tmax = 1.000	k = −17→16
64959 measured reflections	l = −39→38
10295 independent reflections

Refinement

Refinement on F^2	64 restraints
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.050	H-atom parameters constrained
wR(F^2) = 0.119	w = 1/[σ^2(Fo^2) + (0.0318P)^2 + 50.4155P] where P = (Fo^2 + 2Fc^2)/3
S = 1.00	(Δ/σ)max = 0.003
10295 reflections	Δρmax = 1.73 e Å^−3
675 parameters	Δρmin = −0.76 e Å^−3

Special details

Geometry. 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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Au1	0.79403 (2)	0.23012 (2)	0.88886 (2)	0.03146 (9)
O1	0.78470 (19)	−0.1446 (3)	0.82538 (14)	0.0481 (12)
O2	0.9877 (2)	−0.0364 (4)	0.91839 (18)	0.0720 (17)
O3	0.7604 (2)	0.6044 (3)	0.82370 (15)	0.0510 (12)
O4	0.6186 (2)	0.4954 (4)	0.91738 (19)	0.0759 (18)
N1	0.8036 (2)	0.0380 (3)	0.86335 (15)	0.0324 (12)
N2	0.8844 (2)	0.0807 (3)	0.90214 (15)	0.0339 (12)
N3	0.7673 (2)	0.4220 (3)	0.86277 (15)	0.0315 (12)
N4	0.7117 (2)	0.3786 (3)	0.90099 (15)	0.0320 (12)
C1	0.8304 (2)	0.1086 (4)	0.88595 (19)	0.0342 (15)
C2	0.8910 (3)	−0.0072 (4)	0.88981 (19)	0.0353 (15)
C3	0.9422 (3)	−0.0635 (5)	0.8982 (2)	0.0507 (19)
C4	0.9334 (3)	−0.1549 (5)	0.8801 (2)	0.0458 (17)
C5	0.9787 (3)	−0.2149 (5)	0.8869 (3)	0.059 (2)
H5	1.014697	−0.196192	0.902631	0.070*
C6	0.9716 (4)	−0.3020 (6)	0.8708 (3)	0.068 (2)
H6	1.002311	−0.343241	0.876229	0.082*
C7	0.9202 (4)	−0.3283 (5)	0.8472 (3)	0.059 (2)
H7	0.916005	−0.387860	0.836195	0.071*
C8	0.8743 (3)	−0.2707 (5)	0.8389 (2)	0.0475 (17)
H8	0.839010	−0.289935	0.822251	0.057*
C9	0.8808 (3)	−0.1832 (4)	0.8555 (2)	0.0415 (16)
C10	0.8304 (3)	−0.1226 (4)	0.8466 (2)	0.0407 (16)
C11	0.8411 (2)	−0.0331 (4)	0.86554 (19)	0.0341 (15)
C12	0.7462 (2)	0.0462 (4)	0.83762 (19)	0.0330 (14)
C13	0.7401 (3)	0.0809 (4)	0.7986 (2)	0.0417 (16)
C14	0.6848 (3)	0.0918 (5)	0.7753 (2)	0.0497 (18)
H14	0.678948	0.114791	0.748055	0.060*
C15	0.6386 (3)	0.0704 (4)	0.7906 (2)	0.0474 (18)
C16	0.6469 (3)	0.0341 (4)	0.8293 (2)	0.0444 (17)
H16	0.615097	0.017576	0.839637	0.053*
C17	0.7017 (3)	0.0209 (4)	0.8543 (2)	0.0396 (16)
C18	0.7898 (3)	0.1069 (6)	0.7819 (2)	0.062 (2)
H18A	0.811591	0.154071	0.799298	0.093*
H18B	0.776570	0.129810	0.753662	0.093*
H18C	0.813866	0.053857	0.781681	0.093*
C19	0.5788 (3)	0.0890 (5)	0.7657 (3)	0.071 (3)
H19A	0.573269	0.154347	0.762005	0.106*
H19B	0.551679	0.064841	0.780460	0.106*
H19C	0.573058	0.059762	0.738674	0.106*
C20	0.7100 (3)	−0.0172 (5)	0.8969 (2)	0.055 (2)
H20A	0.731628	−0.073558	0.898820	0.082*
H20B	0.673115	−0.029557	0.902724	0.082*
H20C	0.730618	0.026421	0.916969	0.082*
C21	0.9264 (2)	0.1398 (4)	0.9276 (2)	0.0388 (16)
C22	0.9396 (3)	0.1274 (5)	0.9705 (2)	0.0457 (17)
C23	0.9767 (3)	0.1913 (6)	0.9941 (3)	0.062 (2)
H23	0.986390	0.185905	1.023329	0.074*
C24	0.9995 (3)	0.2618 (6)	0.9756 (4)	0.073 (3)
C25	0.9859 (3)	0.2678 (5)	0.9326 (3)	0.065 (2)
H25	1.001880	0.315108	0.919847	0.079*
C26	0.9496 (3)	0.2066 (4)	0.9079 (2)	0.0459 (18)
C27	0.9156 (3)	0.0514 (5)	0.9904 (2)	0.058 (2)
H27A	0.874837	0.047328	0.978525	0.086*
H27B	0.922413	0.062489	1.020127	0.086*
H27C	0.933690	−0.005381	0.985566	0.086*
C28	1.0366 (3)	0.3318 (7)	1.0028 (3)	0.109 (4)
H28A	1.012689	0.373940	1.013781	0.163*
H28B	1.058288	0.365260	0.986425	0.163*
H28C	1.062516	0.301250	1.025724	0.163*
C29	0.9382 (3)	0.2110 (5)	0.8619 (3)	0.064 (2)
H29A	0.939546	0.149942	0.850820	0.096*
H29B	0.966835	0.248851	0.853917	0.096*
H29C	0.900705	0.237137	0.850933	0.096*
C30	0.7552 (2)	0.3516 (4)	0.88543 (18)	0.0320 (14)
C31	0.6962 (3)	0.4651 (4)	0.88839 (19)	0.0349 (15)
C32	0.6496 (3)	0.5212 (5)	0.8963 (2)	0.0497 (19)
C33	0.6457 (3)	0.6127 (4)	0.8771 (2)	0.0452 (17)
C34	0.6042 (3)	0.6715 (5)	0.8832 (3)	0.065 (2)
H34	0.578042	0.651936	0.898431	0.077*
C35	0.6004 (4)	0.7582 (5)	0.8674 (3)	0.074 (3)
H35	0.573409	0.799298	0.873366	0.089*
C36	0.6357 (3)	0.7845 (5)	0.8432 (3)	0.060 (2)
H36	0.631145	0.842581	0.830697	0.073*
C37	0.6776 (3)	0.7283 (5)	0.8367 (2)	0.055 (2)
H37	0.702944	0.748885	0.821003	0.066*
C38	0.6831 (3)	0.6416 (4)	0.8530 (2)	0.0404 (16)
C39	0.7283 (3)	0.5821 (4)	0.8446 (2)	0.0381 (15)
C40	0.7309 (3)	0.4927 (4)	0.86418 (19)	0.0352 (15)
C41	0.8092 (3)	0.4149 (4)	0.8379 (2)	0.0366 (16)
C42	0.8651 (3)	0.4388 (4)	0.8557 (2)	0.0383 (16)
C43	0.9049 (3)	0.4260 (5)	0.8326 (2)	0.0495 (19)
H43	0.943140	0.442199	0.843918	0.059*
C44	0.8893 (3)	0.3896 (5)	0.7930 (2)	0.052 (2)
C45	0.8335 (4)	0.3686 (5)	0.7768 (2)	0.057 (2)
H45	0.823059	0.344699	0.749584	0.069*
C46	0.7917 (3)	0.3808 (4)	0.7984 (2)	0.0434 (17)
C47	0.8828 (3)	0.4757 (5)	0.8989 (2)	0.058 (2)
H47A	0.864586	0.534311	0.900220	0.087*
H47B	0.923901	0.483244	0.906482	0.087*
H47C	0.871415	0.433473	0.918092	0.087*
C48	0.9345 (4)	0.3673 (6)	0.7699 (3)	0.076 (3)
H48A	0.925751	0.398010	0.743145	0.114*
H48B	0.935485	0.301841	0.765689	0.114*
H48C	0.971320	0.387735	0.786134	0.114*
C49	0.7316 (3)	0.3555 (6)	0.7803 (2)	0.064 (2)
H49A	0.720629	0.305946	0.796270	0.096*
H49B	0.727492	0.336073	0.751620	0.096*
H49C	0.707210	0.407879	0.781006	0.096*
C50	0.6833 (3)	0.3172 (4)	0.9243 (2)	0.0360 (15)
C51	0.6478 (3)	0.2523 (4)	0.9016 (2)	0.0409 (17)
C52	0.6248 (3)	0.1888 (5)	0.9236 (2)	0.0487 (18)
H52	0.601431	0.142215	0.909163	0.058*
C53	0.6355 (3)	0.1921 (5)	0.9664 (3)	0.055 (2)
C54	0.6687 (3)	0.2611 (5)	0.9873 (2)	0.052 (2)
H54	0.674491	0.264444	1.016409	0.063*
C55	0.6943 (3)	0.3262 (5)	0.9669 (2)	0.0430 (17)
C56	0.6334 (3)	0.2510 (5)	0.8554 (2)	0.0521 (19)
H56A	0.623919	0.312340	0.844894	0.078*
H56B	0.601063	0.211007	0.845336	0.078*
H56C	0.665943	0.228875	0.845676	0.078*
C57	0.6116 (4)	0.1191 (6)	0.9901 (3)	0.083 (3)
H57A	0.578043	0.092062	0.971974	0.124*
H57B	0.601229	0.146416	1.014051	0.124*
H57C	0.640163	0.072252	0.999394	0.124*
C58	0.7293 (3)	0.4018 (5)	0.9896 (2)	0.058 (2)
H58A	0.764540	0.406565	0.980514	0.086*
H58B	0.737856	0.389470	1.019351	0.086*
H58C	0.708270	0.458672	0.983938	0.086*
Cl1	1.04519 (8)	0.47611 (13)	0.88765 (8)	0.0792 (8)
C1A	0.8172 (10)	−0.2898 (16)	1.0212 (5)	0.096 (5)*	0.35
H1A	0.822300	−0.285239	1.050252	0.115*	0.35
C1B	0.7982 (9)	−0.3710 (13)	1.0007 (6)	0.098 (5)*	0.35
H1B	0.790513	−0.421274	1.016288	0.117*	0.35
C1C	0.7906 (9)	−0.3792 (12)	0.9591 (6)	0.074 (5)*	0.35
H1C	0.777685	−0.434473	0.945589	0.088*	0.35
C1D	0.8024 (10)	−0.3033 (15)	0.9363 (5)	0.089 (5)*	0.35
H1D	0.797473	−0.307832	0.907216	0.106*	0.35
C1E	0.8216 (10)	−0.2209 (13)	0.9567 (7)	0.091 (4)*	0.35
H1E	0.829354	−0.170067	0.941534	0.109*	0.35
C1F	0.8285 (10)	−0.2157 (12)	0.9984 (6)	0.095 (4)*	0.35
H1F	0.841353	−0.160753	1.012282	0.114*	0.35
C2A	0.8376 (5)	−0.2732 (9)	1.0218 (4)	0.095 (4)*	0.65
H2A	0.849029	−0.279806	1.050957	0.115*	0.65
C2B	0.8138 (5)	−0.3486 (9)	0.9980 (4)	0.090 (3)*	0.65
H2B	0.809607	−0.404226	1.011172	0.108*	0.65
C2C	0.7970 (5)	−0.3422 (8)	0.9565 (4)	0.082 (3)*	0.65
H2C	0.780802	−0.391592	0.939577	0.099*	0.65
C2D	0.8054 (6)	−0.2549 (9)	0.9398 (4)	0.084 (3)*	0.65
H2D	0.794028	−0.248385	0.910639	0.101*	0.65
C2E	0.8296 (6)	−0.1755 (8)	0.9634 (4)	0.084 (4)*	0.65
H2E	0.834207	−0.119077	0.950915	0.101*	0.65
C2F	0.8450 (6)	−0.1893 (9)	1.0045 (4)	0.097 (4)*	0.65
H2F	0.861197	−0.140917	1.022025	0.117*	0.65

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Au1	0.02753 (13)	0.02967 (15)	0.03938 (15)	0.00434 (11)	0.01229 (10)	0.00096 (12)
O1	0.041 (3)	0.039 (3)	0.060 (3)	0.002 (2)	0.002 (2)	−0.006 (2)
O2	0.036 (3)	0.063 (4)	0.107 (5)	0.015 (3)	−0.003 (3)	−0.028 (3)
O3	0.056 (3)	0.043 (3)	0.060 (3)	0.005 (2)	0.025 (3)	0.013 (2)
O4	0.070 (4)	0.061 (4)	0.120 (5)	0.030 (3)	0.069 (4)	0.038 (3)
N1	0.027 (3)	0.028 (3)	0.044 (3)	0.004 (2)	0.012 (2)	−0.002 (2)
N2	0.026 (3)	0.033 (3)	0.042 (3)	0.007 (2)	0.008 (2)	0.000 (2)
N3	0.033 (3)	0.024 (3)	0.040 (3)	0.002 (2)	0.013 (2)	0.003 (2)
N4	0.031 (3)	0.024 (3)	0.044 (3)	0.008 (2)	0.014 (2)	0.005 (2)
C1	0.030 (3)	0.034 (4)	0.041 (4)	0.006 (3)	0.014 (3)	0.006 (3)
C2	0.031 (3)	0.031 (4)	0.047 (4)	0.002 (3)	0.014 (3)	−0.002 (3)
C3	0.036 (4)	0.052 (5)	0.062 (5)	0.014 (3)	0.006 (4)	−0.010 (4)
C4	0.041 (4)	0.038 (4)	0.058 (5)	0.013 (3)	0.012 (4)	−0.004 (3)
C5	0.048 (5)	0.043 (5)	0.084 (6)	0.021 (4)	0.012 (4)	−0.008 (4)
C6	0.070 (6)	0.049 (5)	0.088 (6)	0.028 (4)	0.025 (5)	−0.001 (5)
C7	0.068 (6)	0.028 (4)	0.082 (6)	0.015 (4)	0.018 (5)	−0.003 (4)
C8	0.053 (4)	0.035 (4)	0.056 (4)	0.003 (3)	0.016 (4)	−0.002 (4)
C9	0.043 (4)	0.032 (4)	0.051 (4)	0.005 (3)	0.016 (3)	0.002 (3)
C10	0.044 (4)	0.036 (4)	0.041 (4)	0.000 (3)	0.009 (3)	0.002 (3)
C11	0.029 (3)	0.032 (4)	0.042 (4)	0.005 (3)	0.009 (3)	0.002 (3)
C12	0.025 (3)	0.027 (3)	0.044 (4)	0.003 (3)	0.004 (3)	0.001 (3)
C13	0.049 (4)	0.032 (4)	0.042 (4)	0.007 (3)	0.006 (3)	−0.006 (3)
C14	0.057 (5)	0.044 (4)	0.042 (4)	0.005 (4)	−0.002 (4)	−0.004 (3)
C15	0.040 (4)	0.032 (4)	0.059 (5)	0.003 (3)	−0.010 (4)	−0.008 (3)
C16	0.033 (4)	0.035 (4)	0.062 (5)	0.001 (3)	0.004 (3)	0.001 (3)
C17	0.040 (4)	0.028 (4)	0.049 (4)	0.000 (3)	0.007 (3)	0.002 (3)
C18	0.065 (5)	0.079 (6)	0.044 (5)	0.002 (4)	0.018 (4)	0.009 (4)
C19	0.055 (5)	0.047 (5)	0.090 (6)	0.007 (4)	−0.023 (5)	−0.003 (4)
C20	0.034 (4)	0.066 (5)	0.064 (5)	0.008 (4)	0.012 (4)	0.017 (4)
C21	0.022 (3)	0.034 (4)	0.057 (4)	0.006 (3)	0.004 (3)	−0.007 (3)
C22	0.029 (4)	0.048 (5)	0.059 (5)	0.012 (3)	0.008 (3)	−0.007 (4)
C23	0.034 (4)	0.074 (6)	0.072 (5)	0.004 (4)	0.001 (4)	−0.031 (5)
C24	0.033 (4)	0.060 (6)	0.127 (9)	−0.008 (4)	0.019 (5)	−0.045 (6)
C25	0.035 (4)	0.043 (5)	0.123 (8)	−0.004 (4)	0.027 (5)	−0.007 (5)
C26	0.030 (4)	0.031 (4)	0.081 (6)	0.001 (3)	0.021 (4)	−0.004 (4)
C27	0.048 (5)	0.076 (6)	0.049 (5)	0.007 (4)	0.013 (4)	−0.001 (4)
C28	0.039 (5)	0.099 (8)	0.175 (11)	−0.006 (5)	0.000 (6)	−0.075 (8)
C29	0.056 (5)	0.059 (6)	0.083 (6)	0.002 (4)	0.026 (5)	0.011 (4)
C30	0.026 (3)	0.042 (4)	0.031 (3)	0.006 (3)	0.012 (3)	−0.001 (3)
C31	0.033 (4)	0.034 (4)	0.040 (4)	0.008 (3)	0.015 (3)	0.003 (3)
C32	0.044 (4)	0.041 (4)	0.071 (5)	0.013 (3)	0.028 (4)	0.010 (4)
C33	0.038 (4)	0.035 (4)	0.065 (5)	0.013 (3)	0.019 (4)	0.001 (3)
C34	0.053 (5)	0.043 (5)	0.104 (7)	0.013 (4)	0.034 (5)	0.014 (4)
C35	0.071 (6)	0.051 (5)	0.108 (8)	0.022 (4)	0.035 (6)	0.010 (5)
C36	0.067 (5)	0.030 (4)	0.085 (6)	0.021 (4)	0.019 (5)	0.020 (4)
C37	0.052 (5)	0.038 (4)	0.070 (5)	0.004 (4)	0.005 (4)	0.015 (4)
C38	0.040 (4)	0.029 (4)	0.048 (4)	0.000 (3)	0.002 (3)	0.004 (3)
C39	0.037 (4)	0.035 (4)	0.043 (4)	−0.001 (3)	0.011 (3)	0.002 (3)
C40	0.034 (3)	0.027 (4)	0.049 (4)	0.005 (3)	0.017 (3)	0.002 (3)
C41	0.041 (4)	0.027 (4)	0.050 (4)	0.006 (3)	0.027 (3)	0.003 (3)
C42	0.037 (4)	0.030 (4)	0.054 (4)	0.001 (3)	0.022 (3)	0.003 (3)
C43	0.043 (4)	0.041 (4)	0.074 (5)	−0.003 (3)	0.033 (4)	0.002 (4)
C44	0.067 (5)	0.036 (4)	0.070 (5)	0.006 (4)	0.048 (5)	0.009 (4)
C45	0.091 (7)	0.042 (5)	0.048 (5)	0.006 (4)	0.036 (5)	0.000 (4)
C46	0.056 (5)	0.036 (4)	0.041 (4)	−0.006 (3)	0.019 (4)	0.003 (3)
C47	0.049 (5)	0.063 (5)	0.065 (5)	−0.006 (4)	0.020 (4)	−0.008 (4)
C48	0.095 (7)	0.059 (6)	0.100 (7)	0.006 (5)	0.075 (6)	0.004 (5)
C49	0.067 (6)	0.076 (6)	0.047 (5)	−0.008 (4)	0.010 (4)	−0.013 (4)
C50	0.039 (4)	0.022 (3)	0.053 (4)	0.013 (3)	0.022 (3)	0.013 (3)
C51	0.037 (4)	0.031 (4)	0.057 (4)	0.007 (3)	0.016 (3)	0.004 (3)
C52	0.038 (4)	0.032 (4)	0.081 (6)	0.000 (3)	0.023 (4)	0.008 (4)
C53	0.039 (4)	0.046 (5)	0.092 (6)	0.017 (4)	0.038 (4)	0.026 (5)
C54	0.056 (5)	0.058 (5)	0.051 (4)	0.020 (4)	0.029 (4)	0.020 (4)
C55	0.040 (4)	0.043 (4)	0.050 (4)	0.013 (3)	0.019 (3)	0.009 (3)
C56	0.052 (5)	0.043 (5)	0.059 (5)	0.000 (3)	0.009 (4)	0.001 (3)
C57	0.071 (6)	0.066 (6)	0.129 (8)	0.015 (5)	0.062 (6)	0.046 (6)
C58	0.067 (5)	0.056 (5)	0.053 (5)	0.012 (4)	0.021 (4)	−0.001 (4)
Cl1	0.0436 (11)	0.0410 (12)	0.163 (2)	−0.0029 (9)	0.0434 (14)	−0.0022 (13)

Geometric parameters (Å, º)

Au1—C1	2.016 (6)	C33—C34	1.383 (9)
Au1—C30	2.021 (6)	C33—C38	1.416 (9)
O1—C10	1.215 (8)	C34—C35	1.381 (11)
O2—C3	1.219 (8)	C34—H34	0.9500
O3—C39	1.210 (7)	C35—C36	1.368 (11)
O4—C32	1.210 (8)	C35—H35	0.9500
N1—C1	1.360 (8)	C36—C37	1.373 (10)
N1—C11	1.384 (7)	C36—H36	0.9500
N1—C12	1.463 (7)	C37—C38	1.386 (9)
N2—C1	1.364 (7)	C37—H37	0.9500
N2—C2	1.385 (8)	C38—C39	1.488 (9)
N2—C21	1.457 (8)	C39—C40	1.468 (9)
N3—C30	1.360 (7)	C41—C46	1.381 (9)
N3—C40	1.380 (7)	C41—C42	1.396 (9)
N3—C41	1.462 (7)	C42—C43	1.385 (8)
N4—C30	1.347 (7)	C42—C47	1.506 (9)
N4—C31	1.372 (7)	C43—C44	1.395 (10)
N4—C50	1.470 (7)	C43—H43	0.9500
C2—C11	1.348 (8)	C44—C45	1.374 (11)
C2—C3	1.471 (9)	C44—C48	1.520 (9)
C3—C4	1.475 (10)	C45—C46	1.394 (9)
C4—C5	1.393 (9)	C45—H45	0.9500
C4—C9	1.415 (9)	C46—C49	1.495 (10)
C5—C6	1.392 (11)	C47—H47A	0.9800
C5—H5	0.9500	C47—H47B	0.9800
C6—C7	1.369 (11)	C47—H47C	0.9800
C6—H6	0.9500	C48—H48A	0.9800
C7—C8	1.382 (10)	C48—H48B	0.9800
C7—H7	0.9500	C48—H48C	0.9800
C8—C9	1.401 (9)	C49—H49A	0.9800
C8—H8	0.9500	C49—H49B	0.9800
C9—C10	1.492 (9)	C49—H49C	0.9800
C10—C11	1.464 (9)	C50—C55	1.389 (9)
C12—C13	1.373 (9)	C50—C51	1.390 (9)
C12—C17	1.383 (8)	C51—C52	1.388 (9)
C13—C14	1.395 (9)	C51—C56	1.499 (10)
C13—C18	1.500 (9)	C52—C53	1.388 (10)
C14—C15	1.379 (10)	C52—H52	0.9500
C14—H14	0.9500	C53—C54	1.384 (11)
C15—C16	1.370 (9)	C53—C57	1.533 (9)
C15—C19	1.521 (9)	C54—C55	1.405 (9)
C16—C17	1.410 (9)	C54—H54	0.9500
C16—H16	0.9500	C55—C58	1.498 (10)
C17—C20	1.498 (9)	C56—H56A	0.9800
C18—H18A	0.9800	C56—H56B	0.9800
C18—H18B	0.9800	C56—H56C	0.9800
C18—H18C	0.9800	C57—H57A	0.9800
C19—H19A	0.9800	C57—H57B	0.9800
C19—H19B	0.9800	C57—H57C	0.9800
C19—H19C	0.9800	C58—H58A	0.9800
C20—H20A	0.9800	C58—H58B	0.9800
C20—H20B	0.9800	C58—H58C	0.9800
C20—H20C	0.9800	C1A—C1F	1.397 (7)
C21—C26	1.379 (9)	C1A—C1B	1.406 (7)
C21—C22	1.401 (9)	C1A—H1A	0.9500
C22—C23	1.413 (10)	C1B—C1C	1.362 (7)
C22—C27	1.493 (10)	C1B—H1B	0.9500
C23—C24	1.393 (12)	C1C—C1D	1.424 (8)
C23—H23	0.9500	C1C—H1C	0.9500
C24—C25	1.396 (13)	C1D—C1E	1.422 (8)
C24—C28	1.524 (11)	C1D—H1D	0.9500
C25—C26	1.392 (11)	C1E—C1F	1.363 (7)
C25—H25	0.9500	C1E—H1E	0.9500
C26—C29	1.493 (10)	C1F—H1F	0.9500
C27—H27A	0.9800	C2A—C2F	1.400 (11)
C27—H27B	0.9800	C2A—C2B	1.413 (10)
C27—H27C	0.9800	C2A—H2A	0.9500
C28—H28A	0.9800	C2B—C2C	1.350 (10)
C28—H28B	0.9800	C2B—H2B	0.9500
C28—H28C	0.9800	C2C—C2D	1.440 (11)
C29—H29A	0.9800	C2C—H2C	0.9500
C29—H29B	0.9800	C2D—C2E	1.460 (11)
C29—H29C	0.9800	C2D—H2D	0.9500
C31—C40	1.363 (8)	C2E—C2F	1.348 (10)
C31—C32	1.478 (8)	C2E—H2E	0.9500
C32—C33	1.491 (9)	C2F—H2F	0.9500
C1—Au1—C30	174.2 (2)	C35—C34—C33	121.0 (7)
C1—N1—C11	109.2 (5)	C35—C34—H34	119.5
C1—N1—C12	121.9 (5)	C33—C34—H34	119.5
C11—N1—C12	128.4 (5)	C36—C35—C34	119.6 (7)
C1—N2—C2	109.6 (5)	C36—C35—H35	120.2
C1—N2—C21	122.0 (5)	C34—C35—H35	120.2
C2—N2—C21	128.4 (5)	C35—C36—C37	121.0 (7)
C30—N3—C40	109.6 (5)	C35—C36—H36	119.5
C30—N3—C41	122.1 (5)	C37—C36—H36	119.5
C40—N3—C41	127.9 (5)	C36—C37—C38	120.4 (7)
C30—N4—C31	110.1 (5)	C36—C37—H37	119.8
C30—N4—C50	122.1 (5)	C38—C37—H37	119.8
C31—N4—C50	127.5 (5)	C37—C38—C33	119.1 (6)
N1—C1—N2	106.2 (5)	C37—C38—C39	118.8 (6)
N1—C1—Au1	123.5 (4)	C33—C38—C39	122.1 (6)
N2—C1—Au1	130.1 (5)	O3—C39—C40	122.4 (6)
C11—C2—N2	107.0 (5)	O3—C39—C38	123.7 (6)
C11—C2—C3	124.0 (6)	C40—C39—C38	113.9 (5)
N2—C2—C3	128.9 (6)	C31—C40—N3	106.7 (5)
O2—C3—C2	122.5 (7)	C31—C40—C39	124.4 (5)
O2—C3—C4	123.6 (6)	N3—C40—C39	128.9 (5)
C2—C3—C4	113.9 (6)	C46—C41—C42	123.2 (6)
C5—C4—C9	118.8 (6)	C46—C41—N3	117.8 (6)
C5—C4—C3	118.9 (7)	C42—C41—N3	118.9 (6)
C9—C4—C3	122.3 (6)	C43—C42—C41	118.1 (6)
C6—C5—C4	120.3 (7)	C43—C42—C47	120.0 (6)
C6—C5—H5	119.8	C41—C42—C47	121.9 (5)
C4—C5—H5	119.8	C42—C43—C44	120.6 (7)
C7—C6—C5	120.0 (7)	C42—C43—H43	119.7
C7—C6—H6	120.0	C44—C43—H43	119.7
C5—C6—H6	120.0	C45—C44—C43	118.9 (6)
C6—C7—C8	121.8 (7)	C45—C44—C48	121.2 (7)
C6—C7—H7	119.1	C43—C44—C48	119.7 (7)
C8—C7—H7	119.1	C44—C45—C46	122.9 (7)
C7—C8—C9	118.7 (7)	C44—C45—H45	118.6
C7—C8—H8	120.7	C46—C45—H45	118.6
C9—C8—H8	120.7	C41—C46—C45	116.2 (7)
C8—C9—C4	120.4 (6)	C41—C46—C49	122.1 (6)
C8—C9—C10	117.8 (6)	C45—C46—C49	121.6 (7)
C4—C9—C10	121.9 (6)	C42—C47—H47A	109.5
O1—C10—C11	122.7 (6)	C42—C47—H47B	109.5
O1—C10—C9	123.5 (6)	H47A—C47—H47B	109.5
C11—C10—C9	113.8 (6)	C42—C47—H47C	109.5
C2—C11—N1	107.9 (5)	H47A—C47—H47C	109.5
C2—C11—C10	124.0 (6)	H47B—C47—H47C	109.5
N1—C11—C10	128.0 (6)	C44—C48—H48A	109.5
C13—C12—C17	124.0 (6)	C44—C48—H48B	109.5
C13—C12—N1	117.6 (5)	H48A—C48—H48B	109.5
C17—C12—N1	118.4 (5)	C44—C48—H48C	109.5
C12—C13—C14	116.5 (6)	H48A—C48—H48C	109.5
C12—C13—C18	122.1 (6)	H48B—C48—H48C	109.5
C14—C13—C18	121.4 (6)	C46—C49—H49A	109.5
C15—C14—C13	122.3 (7)	C46—C49—H49B	109.5
C15—C14—H14	118.9	H49A—C49—H49B	109.5
C13—C14—H14	118.9	C46—C49—H49C	109.5
C16—C15—C14	119.1 (6)	H49A—C49—H49C	109.5
C16—C15—C19	119.6 (7)	H49B—C49—H49C	109.5
C14—C15—C19	121.2 (7)	C55—C50—C51	124.7 (6)
C15—C16—C17	121.3 (6)	C55—C50—N4	118.7 (6)
C15—C16—H16	119.4	C51—C50—N4	116.6 (6)
C17—C16—H16	119.4	C52—C51—C50	117.1 (7)
C12—C17—C16	116.8 (6)	C52—C51—C56	120.6 (7)
C12—C17—C20	122.6 (6)	C50—C51—C56	122.3 (6)
C16—C17—C20	120.6 (6)	C53—C52—C51	121.1 (7)
C13—C18—H18A	109.5	C53—C52—H52	119.4
C13—C18—H18B	109.5	C51—C52—H52	119.4
H18A—C18—H18B	109.5	C54—C53—C52	119.3 (6)
C13—C18—H18C	109.5	C54—C53—C57	120.5 (8)
H18A—C18—H18C	109.5	C52—C53—C57	120.2 (8)
H18B—C18—H18C	109.5	C53—C54—C55	122.4 (7)
C15—C19—H19A	109.5	C53—C54—H54	118.8
C15—C19—H19B	109.5	C55—C54—H54	118.8
H19A—C19—H19B	109.5	C50—C55—C54	115.3 (7)
C15—C19—H19C	109.5	C50—C55—C58	122.6 (6)
H19A—C19—H19C	109.5	C54—C55—C58	122.1 (7)
H19B—C19—H19C	109.5	C51—C56—H56A	109.5
C17—C20—H20A	109.5	C51—C56—H56B	109.5
C17—C20—H20B	109.5	H56A—C56—H56B	109.5
H20A—C20—H20B	109.5	C51—C56—H56C	109.5
C17—C20—H20C	109.5	H56A—C56—H56C	109.5
H20A—C20—H20C	109.5	H56B—C56—H56C	109.5
H20B—C20—H20C	109.5	C53—C57—H57A	109.5
C26—C21—C22	124.0 (6)	C53—C57—H57B	109.5
C26—C21—N2	117.5 (6)	H57A—C57—H57B	109.5
C22—C21—N2	118.5 (6)	C53—C57—H57C	109.5
C21—C22—C23	116.4 (7)	H57A—C57—H57C	109.5
C21—C22—C27	122.2 (6)	H57B—C57—H57C	109.5
C23—C22—C27	121.4 (7)	C55—C58—H58A	109.5
C24—C23—C22	121.6 (8)	C55—C58—H58B	109.5
C24—C23—H23	119.2	H58A—C58—H58B	109.5
C22—C23—H23	119.2	C55—C58—H58C	109.5
C23—C24—C25	118.6 (7)	H58A—C58—H58C	109.5
C23—C24—C28	119.2 (10)	H58B—C58—H58C	109.5
C25—C24—C28	122.2 (9)	C1F—C1A—C1B	119.5 (5)
C26—C25—C24	122.1 (8)	C1F—C1A—H1A	120.3
C26—C25—H25	118.9	C1B—C1A—H1A	120.3
C24—C25—H25	118.9	C1C—C1B—C1A	121.4 (5)
C21—C26—C25	117.2 (8)	C1C—C1B—H1B	119.3
C21—C26—C29	121.6 (7)	C1A—C1B—H1B	119.3
C25—C26—C29	121.2 (7)	C1B—C1C—C1D	118.6 (5)
C22—C27—H27A	109.5	C1B—C1C—H1C	120.7
C22—C27—H27B	109.5	C1D—C1C—H1C	120.7
H27A—C27—H27B	109.5	C1E—C1D—C1C	120.3 (5)
C22—C27—H27C	109.5	C1E—C1D—H1D	119.8
H27A—C27—H27C	109.5	C1C—C1D—H1D	119.8
H27B—C27—H27C	109.5	C1F—C1E—C1D	119.1 (5)
C24—C28—H28A	109.5	C1F—C1E—H1E	120.5
C24—C28—H28B	109.5	C1D—C1E—H1E	120.5
H28A—C28—H28B	109.5	C1E—C1F—C1A	121.1 (5)
C24—C28—H28C	109.5	C1E—C1F—H1F	119.4
H28A—C28—H28C	109.5	C1A—C1F—H1F	119.4
H28B—C28—H28C	109.5	C2F—C2A—C2B	122.8 (11)
C26—C29—H29A	109.5	C2F—C2A—H2A	118.6
C26—C29—H29B	109.5	C2B—C2A—H2A	118.6
H29A—C29—H29B	109.5	C2C—C2B—C2A	120.5 (10)
C26—C29—H29C	109.5	C2C—C2B—H2B	119.8
H29A—C29—H29C	109.5	C2A—C2B—H2B	119.8
H29B—C29—H29C	109.5	C2B—C2C—C2D	115.0 (10)
N4—C30—N3	106.3 (5)	C2B—C2C—H2C	122.5
N4—C30—Au1	130.0 (4)	C2D—C2C—H2C	122.5
N3—C30—Au1	123.5 (4)	C2C—C2D—C2E	126.1 (10)
C40—C31—N4	107.2 (5)	C2C—C2D—H2D	116.9
C40—C31—C32	123.2 (6)	C2E—C2D—H2D	116.9
N4—C31—C32	129.5 (5)	C2F—C2E—C2D	114.0 (10)
O4—C32—C31	122.6 (6)	C2F—C2E—H2E	123.0
O4—C32—C33	123.3 (6)	C2D—C2E—H2E	123.0
C31—C32—C33	114.1 (5)	C2E—C2F—C2A	121.6 (11)
C34—C33—C38	118.9 (6)	C2E—C2F—H2F	119.2
C34—C33—C32	118.9 (6)	C2A—C2F—H2F	119.2
C38—C33—C32	122.2 (6)
C11—N1—C1—N2	−0.1 (6)	C40—N3—C30—Au1	175.4 (4)
C12—N1—C1—N2	−173.3 (5)	C41—N3—C30—Au1	1.4 (8)
C11—N1—C1—Au1	175.8 (4)	C30—N4—C31—C40	0.2 (7)
C12—N1—C1—Au1	2.6 (8)	C50—N4—C31—C40	−173.8 (6)
C2—N2—C1—N1	−0.4 (6)	C30—N4—C31—C32	177.4 (7)
C21—N2—C1—N1	178.5 (5)	C50—N4—C31—C32	3.4 (11)
C2—N2—C1—Au1	−176.0 (4)	C40—C31—C32—O4	178.9 (8)
C21—N2—C1—Au1	3.0 (8)	N4—C31—C32—O4	2.1 (13)
C1—N2—C2—C11	0.8 (7)	C40—C31—C32—C33	−2.8 (10)
C21—N2—C2—C11	−178.1 (6)	N4—C31—C32—C33	−179.6 (7)
C1—N2—C2—C3	177.2 (6)	O4—C32—C33—C34	−0.5 (12)
C21—N2—C2—C3	−1.7 (11)	C31—C32—C33—C34	−178.8 (7)
C11—C2—C3—O2	175.7 (7)	O4—C32—C33—C38	179.1 (8)
N2—C2—C3—O2	−0.1 (12)	C31—C32—C33—C38	0.8 (10)
C11—C2—C3—C4	−4.4 (10)	C38—C33—C34—C35	−2.4 (13)
N2—C2—C3—C4	179.8 (6)	C32—C33—C34—C35	177.3 (8)
O2—C3—C4—C5	1.4 (12)	C33—C34—C35—C36	4.3 (14)
C2—C3—C4—C5	−178.5 (7)	C34—C35—C36—C37	−4.7 (14)
O2—C3—C4—C9	−177.4 (7)	C35—C36—C37—C38	3.3 (13)
C2—C3—C4—C9	2.7 (10)	C36—C37—C38—C33	−1.3 (11)
C9—C4—C5—C6	−2.1 (11)	C36—C37—C38—C39	178.8 (7)
C3—C4—C5—C6	179.0 (7)	C34—C33—C38—C37	0.9 (11)
C4—C5—C6—C7	1.9 (13)	C32—C33—C38—C37	−178.8 (7)
C5—C6—C7—C8	−0.5 (13)	C34—C33—C38—C39	−179.3 (7)
C6—C7—C8—C9	−0.4 (12)	C32—C33—C38—C39	1.1 (11)
C7—C8—C9—C4	0.1 (10)	C37—C38—C39—O3	−1.2 (10)
C7—C8—C9—C10	−179.1 (6)	C33—C38—C39—O3	178.9 (7)
C5—C4—C9—C8	1.2 (10)	C37—C38—C39—C40	178.7 (6)
C3—C4—C9—C8	179.9 (6)	C33—C38—C39—C40	−1.2 (9)
C5—C4—C9—C10	−179.6 (6)	N4—C31—C40—N3	−0.4 (7)
C3—C4—C9—C10	−0.8 (10)	C32—C31—C40—N3	−177.8 (6)
C8—C9—C10—O1	−1.2 (10)	N4—C31—C40—C39	−179.7 (6)
C4—C9—C10—O1	179.6 (6)	C32—C31—C40—C39	2.9 (11)
C8—C9—C10—C11	179.4 (6)	C30—N3—C40—C31	0.4 (7)
C4—C9—C10—C11	0.2 (9)	C41—N3—C40—C31	174.0 (6)
N2—C2—C11—N1	−0.8 (7)	C30—N3—C40—C39	179.7 (6)
C3—C2—C11—N1	−177.4 (6)	C41—N3—C40—C39	−6.7 (11)
N2—C2—C11—C10	−179.2 (5)	O3—C39—C40—C31	179.1 (7)
C3—C2—C11—C10	4.2 (10)	C38—C39—C40—C31	−0.8 (9)
C1—N1—C11—C2	0.6 (7)	O3—C39—C40—N3	0.0 (11)
C12—N1—C11—C2	173.2 (5)	C38—C39—C40—N3	−179.9 (6)
C1—N1—C11—C10	178.9 (6)	C30—N3—C41—C46	85.7 (7)
C12—N1—C11—C10	−8.5 (10)	C40—N3—C41—C46	−87.2 (8)
O1—C10—C11—C2	178.8 (6)	C30—N3—C41—C42	−91.5 (7)
C9—C10—C11—C2	−1.8 (9)	C40—N3—C41—C42	95.6 (8)
O1—C10—C11—N1	0.7 (10)	C46—C41—C42—C43	−1.2 (10)
C9—C10—C11—N1	−179.9 (6)	N3—C41—C42—C43	175.8 (6)
C1—N1—C12—C13	84.2 (7)	C46—C41—C42—C47	−179.9 (6)
C11—N1—C12—C13	−87.5 (8)	N3—C41—C42—C47	−2.9 (9)
C1—N1—C12—C17	−94.1 (7)	C41—C42—C43—C44	−0.5 (10)
C11—N1—C12—C17	94.1 (7)	C47—C42—C43—C44	178.2 (6)
C17—C12—C13—C14	1.0 (10)	C42—C43—C44—C45	1.6 (10)
N1—C12—C13—C14	−177.2 (5)	C42—C43—C44—C48	−173.8 (6)
C17—C12—C13—C18	−179.7 (6)	C43—C44—C45—C46	−1.0 (11)
N1—C12—C13—C18	2.1 (9)	C48—C44—C45—C46	174.3 (7)
C12—C13—C14—C15	1.0 (10)	C42—C41—C46—C45	1.7 (10)
C18—C13—C14—C15	−178.3 (7)	N3—C41—C46—C45	−175.3 (6)
C13—C14—C15—C16	−2.4 (11)	C42—C41—C46—C49	179.8 (7)
C13—C14—C15—C19	175.7 (6)	N3—C41—C46—C49	2.7 (10)
C14—C15—C16—C17	1.9 (10)	C44—C45—C46—C41	−0.6 (10)
C19—C15—C16—C17	−176.2 (6)	C44—C45—C46—C49	−178.7 (7)
C13—C12—C17—C16	−1.4 (10)	C30—N4—C50—C55	104.7 (7)
N1—C12—C17—C16	176.8 (5)	C31—N4—C50—C55	−82.0 (8)
C13—C12—C17—C20	179.7 (6)	C30—N4—C50—C51	−74.2 (8)
N1—C12—C17—C20	−2.2 (9)	C31—N4—C50—C51	99.1 (7)
C15—C16—C17—C12	−0.1 (10)	C55—C50—C51—C52	−4.5 (10)
C15—C16—C17—C20	178.9 (7)	N4—C50—C51—C52	174.3 (5)
C1—N2—C21—C26	−75.9 (7)	C55—C50—C51—C56	174.3 (6)
C2—N2—C21—C26	102.8 (7)	N4—C50—C51—C56	−6.9 (9)
C1—N2—C21—C22	102.3 (7)	C50—C51—C52—C53	2.2 (10)
C2—N2—C21—C22	−78.9 (8)	C56—C51—C52—C53	−176.7 (6)
C26—C21—C22—C23	3.5 (9)	C51—C52—C53—C54	1.3 (10)
N2—C21—C22—C23	−174.6 (5)	C51—C52—C53—C57	−177.7 (6)
C26—C21—C22—C27	−177.0 (6)	C52—C53—C54—C55	−2.8 (11)
N2—C21—C22—C27	4.9 (9)	C57—C53—C54—C55	176.2 (6)
C21—C22—C23—C24	−0.9 (10)	C51—C50—C55—C54	3.1 (9)
C27—C22—C23—C24	179.6 (7)	N4—C50—C55—C54	−175.7 (5)
C22—C23—C24—C25	−1.3 (11)	C51—C50—C55—C58	−175.0 (6)
C22—C23—C24—C28	176.4 (7)	N4—C50—C55—C58	6.2 (9)
C23—C24—C25—C26	1.2 (12)	C53—C54—C55—C50	0.7 (10)
C28—C24—C25—C26	−176.5 (7)	C53—C54—C55—C58	178.8 (6)
C22—C21—C26—C25	−3.6 (10)	C1F—C1A—C1B—C1C	0.0 (3)
N2—C21—C26—C25	174.5 (6)	C1A—C1B—C1C—C1D	0.1 (3)
C22—C21—C26—C29	173.9 (6)	C1B—C1C—C1D—C1E	−0.2 (6)
N2—C21—C26—C29	−7.9 (9)	C1C—C1D—C1E—C1F	0.2 (9)
C24—C25—C26—C21	1.2 (11)	C1D—C1E—C1F—C1A	0.0 (9)
C24—C25—C26—C29	−176.4 (7)	C1B—C1A—C1F—C1E	−0.1 (7)
C31—N4—C30—N3	0.1 (7)	C2F—C2A—C2B—C2C	0.0 (3)
C50—N4—C30—N3	174.4 (5)	C2A—C2B—C2C—C2D	0.1 (3)
C31—N4—C30—Au1	−175.3 (5)	C2B—C2C—C2D—C2E	−0.2 (6)
C50—N4—C30—Au1	−0.9 (9)	C2C—C2D—C2E—C2F	0.2 (8)
C40—N3—C30—N4	−0.3 (7)	C2D—C2E—C2F—C2A	−0.1 (8)
C41—N3—C30—N4	−174.3 (5)	C2B—C2A—C2F—C2E	0.0 (7)

Bis(1,3-dimesityl-4,5-naphthoquinoimidazol-2-ylidene)gold(I) dichloridaurate(I) dichloromethane disolvate (shelx_p-1)

Crystal data

[Au(C29H26N2O2)2][AuCl2]·2CH2Cl2	Z = 2
Mr = 1503.72	F(000) = 1472
Triclinic, P1	Dx = 1.665 Mg m^−3
a = 11.9236 (11) Å	Mo Kα radiation, λ = 0.71073 Å
b = 15.1244 (14) Å	Cell parameters from 9938 reflections
c = 18.4014 (16) Å	θ = 2.2–24.8°
α = 100.460 (3)°	µ = 5.20 mm^−1
β = 105.164 (3)°	T = 183 K
γ = 103.994 (3)°	Block, yellow
V = 2999.8 (5) Å^3	0.74 × 0.50 × 0.25 mm

Data collection

Bruker SMART X2S benchtop diffractometer	10522 independent reflections
Radiation source: XOS X-beam microfocus source	7802 reflections with I > 2σ(I)
Doubly curved silicon crystal monochromator	Rint = 0.105
ω scans	θmax = 25.1°, θmin = 2.0°
Absorption correction: multi-scan (SADABS; Bruker, 2014)	h = −14→14
Tmin = 0.413, Tmax = 1.000	k = −18→17
53862 measured reflections	l = −21→21

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.052	H-atom parameters constrained
wR(F^2) = 0.138	w = 1/[σ^2(Fo^2) + (0.0788P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 0.99	(Δ/σ)max = 0.001
10522 reflections	Δρmax = 2.29 e Å^−3
697 parameters	Δρmin = −2.27 e Å^−3

Special details

Geometry. 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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Au1	0.29603 (3)	0.46949 (2)	0.28062 (2)	0.01952 (11)
O1	0.4592 (5)	0.3022 (4)	0.0258 (3)	0.0298 (14)
O2	0.1641 (6)	0.0544 (4)	0.1236 (3)	0.0394 (16)
O3	0.4847 (5)	0.8511 (4)	0.5106 (4)	0.0351 (15)
O4	0.0051 (5)	0.7269 (4)	0.3426 (4)	0.0366 (15)
N1	0.3758 (5)	0.3620 (4)	0.1619 (3)	0.0182 (14)
N2	0.2468 (5)	0.2630 (5)	0.1951 (4)	0.0211 (15)
N3	0.3673 (5)	0.6637 (4)	0.3928 (3)	0.0189 (14)
N4	0.1750 (5)	0.6133 (4)	0.3269 (4)	0.0198 (14)
C1	0.3086 (7)	0.3549 (6)	0.2121 (5)	0.0255 (19)
C2	0.3548 (7)	0.2724 (6)	0.1148 (4)	0.0215 (17)
C3	0.4000 (6)	0.2454 (6)	0.0506 (4)	0.0215 (18)
C4	0.3639 (7)	0.1438 (6)	0.0168 (5)	0.0275 (19)
C5	0.4091 (7)	0.1112 (7)	−0.0415 (5)	0.035 (2)
H5	0.462325	0.154880	−0.058066	0.042*
C6	0.3774 (8)	0.0158 (7)	−0.0756 (5)	0.041 (2)
H6	0.408684	−0.005650	−0.115585	0.049*
C7	0.3005 (9)	−0.0488 (7)	−0.0522 (5)	0.042 (2)
H7	0.280749	−0.114465	−0.075104	0.051*
C8	0.2522 (8)	−0.0173 (7)	0.0051 (5)	0.038 (2)
H8	0.195651	−0.061207	0.019299	0.046*
C9	0.2865 (7)	0.0774 (6)	0.0409 (5)	0.031 (2)
C10	0.2327 (7)	0.1093 (6)	0.1024 (4)	0.0265 (19)
C11	0.2749 (6)	0.2108 (5)	0.1371 (4)	0.0187 (17)
C12	0.4614 (6)	0.4492 (5)	0.1635 (4)	0.0195 (17)
C13	0.5738 (7)	0.4812 (6)	0.2202 (5)	0.0240 (18)
C14	0.6586 (7)	0.5631 (6)	0.2180 (5)	0.0261 (19)
H14	0.737018	0.586861	0.256443	0.031*
C15	0.6295 (8)	0.6088 (7)	0.1611 (5)	0.035 (2)
C16	0.5136 (8)	0.5764 (7)	0.1074 (5)	0.036 (2)
H16	0.492381	0.610501	0.070027	0.043*
C17	0.4276 (7)	0.4959 (6)	0.1063 (5)	0.0252 (19)
C18	0.6072 (8)	0.4346 (7)	0.2850 (5)	0.033 (2)
H18A	0.565213	0.449151	0.322726	0.050*
H18B	0.695597	0.458235	0.311178	0.050*
H18C	0.582474	0.366106	0.263260	0.050*
C19	0.7213 (9)	0.6977 (7)	0.1608 (6)	0.049 (3)
H19A	0.793207	0.715731	0.207294	0.073*
H19B	0.684197	0.748916	0.160887	0.073*
H19C	0.745766	0.686023	0.113944	0.073*
C20	0.3009 (8)	0.4599 (7)	0.0463 (5)	0.041 (2)
H20A	0.286808	0.395348	0.016494	0.062*
H20B	0.294424	0.500838	0.010754	0.062*
H20C	0.239696	0.460333	0.072914	0.062*
C21	0.1614 (7)	0.2238 (6)	0.2338 (5)	0.0237 (18)
C22	0.0406 (7)	0.2243 (6)	0.2048 (5)	0.0273 (19)
C23	−0.0389 (7)	0.1821 (7)	0.2419 (5)	0.036 (2)
H23	−0.122055	0.179927	0.223908	0.043*
C24	−0.0028 (8)	0.1439 (6)	0.3025 (5)	0.034 (2)
C25	0.1175 (8)	0.1453 (7)	0.3284 (5)	0.035 (2)
H25	0.142681	0.117850	0.369988	0.042*
C26	0.2022 (7)	0.1857 (6)	0.2955 (5)	0.0262 (19)
C27	0.0015 (8)	0.2629 (7)	0.1377 (5)	0.038 (2)
H27A	0.041315	0.331273	0.152590	0.058*
H27B	−0.087226	0.250050	0.121569	0.058*
H27C	0.024470	0.233136	0.094222	0.058*
C28	−0.0953 (9)	0.0942 (8)	0.3366 (6)	0.052 (3)
H28A	−0.067757	0.045342	0.357756	0.077*
H28B	−0.174563	0.065091	0.295730	0.077*
H28C	−0.103155	0.140213	0.378502	0.077*
C29	0.3313 (8)	0.1828 (7)	0.3217 (5)	0.041 (2)
H29A	0.345742	0.141535	0.279786	0.062*
H29B	0.344769	0.158214	0.367996	0.062*
H29C	0.387668	0.246605	0.334530	0.062*
C30	0.2800 (7)	0.5889 (6)	0.3388 (4)	0.0210 (17)
C31	0.3195 (6)	0.7345 (5)	0.4143 (4)	0.0188 (17)
C32	0.3805 (8)	0.8269 (6)	0.4731 (5)	0.0265 (19)
C33	0.2967 (7)	0.8868 (6)	0.4774 (5)	0.0270 (19)
C34	0.3460 (8)	0.9758 (6)	0.5277 (6)	0.038 (2)
H34	0.429280	0.997274	0.559362	0.045*
C35	0.2721 (9)	1.0339 (6)	0.5316 (6)	0.043 (3)
H35	0.306307	1.095641	0.565860	0.051*
C36	0.1537 (9)	1.0051 (7)	0.4882 (5)	0.039 (2)
H36	0.105448	1.046466	0.490740	0.046*
C37	0.1023 (8)	0.9135 (7)	0.4391 (5)	0.033 (2)
H37	0.018040	0.892177	0.409635	0.040*
C38	0.1722 (7)	0.8534 (6)	0.4330 (4)	0.0226 (18)
C39	0.1139 (7)	0.7577 (6)	0.3786 (4)	0.0219 (18)
C40	0.1980 (7)	0.7029 (6)	0.3732 (4)	0.0224 (18)
C41	0.4967 (6)	0.6691 (6)	0.4173 (4)	0.0203 (17)
C42	0.5662 (7)	0.6989 (6)	0.3732 (4)	0.0234 (18)
C43	0.6901 (7)	0.7041 (6)	0.3983 (5)	0.028 (2)
H43	0.740491	0.725578	0.368725	0.034*
C44	0.7395 (7)	0.6789 (6)	0.4642 (5)	0.032 (2)
C45	0.6652 (7)	0.6484 (6)	0.5072 (5)	0.031 (2)
H45	0.699732	0.631741	0.553432	0.038*
C46	0.5407 (7)	0.6413 (6)	0.4847 (5)	0.027 (2)
C47	0.5128 (8)	0.7258 (7)	0.2996 (5)	0.036 (2)
H47A	0.454534	0.669544	0.260164	0.055*
H47B	0.578415	0.753106	0.279873	0.055*
H47C	0.470891	0.772358	0.311011	0.055*
C48	0.8722 (8)	0.6812 (8)	0.4886 (6)	0.047 (3)
H48A	0.908672	0.706939	0.545229	0.070*
H48B	0.916522	0.721031	0.462386	0.070*
H48C	0.877158	0.616931	0.473954	0.070*
C49	0.4614 (8)	0.6079 (7)	0.5317 (5)	0.037 (2)
H49A	0.430839	0.658693	0.551602	0.056*
H49B	0.509134	0.590093	0.575524	0.056*
H49C	0.392328	0.553032	0.498584	0.056*
C50	0.0592 (6)	0.5502 (5)	0.2712 (5)	0.0209 (17)
C51	0.0266 (8)	0.5635 (7)	0.1971 (5)	0.033 (2)
C52	−0.0810 (9)	0.5005 (8)	0.1448 (6)	0.047 (3)
H52	−0.106613	0.507695	0.093344	0.056*
C53	−0.1530 (8)	0.4279 (7)	0.1635 (6)	0.043 (3)
C54	−0.1160 (7)	0.4200 (6)	0.2387 (6)	0.037 (2)
H54	−0.164543	0.370884	0.253210	0.044*
C55	−0.0095 (8)	0.4819 (7)	0.2939 (5)	0.033 (2)
C56	0.1050 (10)	0.6421 (7)	0.1750 (6)	0.057 (3)
H56A	0.104507	0.703186	0.203892	0.085*
H56B	0.072429	0.635259	0.118906	0.085*
H56C	0.188766	0.638926	0.188084	0.085*
C57	−0.2700 (9)	0.3621 (8)	0.1048 (7)	0.068 (4)
H57A	−0.308216	0.315226	0.128522	0.102*
H57B	−0.252795	0.329826	0.059645	0.102*
H57C	−0.325462	0.398149	0.087830	0.102*
C58	0.0306 (9)	0.4704 (8)	0.3759 (6)	0.051 (3)
H58A	0.107137	0.454421	0.385322	0.077*
H58B	−0.032453	0.419700	0.381938	0.077*
H58C	0.042989	0.529566	0.413583	0.077*
Au2	0.32100 (3)	0.77171 (3)	0.67602 (2)	0.03643 (13)
Cl1	0.4481 (3)	0.8454 (2)	0.79868 (15)	0.0602 (8)
Cl2	0.1922 (2)	0.6923 (2)	0.55543 (14)	0.0475 (6)
Cl3	0.0096 (3)	−0.1064 (2)	0.22955 (17)	0.0683 (8)
Cl4	−0.0574 (3)	−0.1727 (2)	0.06283 (16)	0.0634 (8)
C59	−0.0624 (9)	−0.0909 (7)	0.1407 (6)	0.048 (3)
H59A	−0.022872	−0.026446	0.138168	0.058*
H59B	−0.148568	−0.096647	0.136127	0.058*
Cl5	0.3382 (3)	−0.0834 (3)	0.3000 (2)	0.0777 (10)
Cl6	0.3542 (4)	−0.1655 (3)	0.1487 (2)	0.1018 (13)
C60	0.3338 (13)	−0.0711 (10)	0.2067 (8)	0.084 (4)
H60A	0.254123	−0.063579	0.180585	0.101*
H60B	0.398200	−0.012867	0.211722	0.101*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Au1	0.01953 (18)	0.01883 (18)	0.02378 (19)	0.00784 (14)	0.00909 (14)	0.00830 (14)
O1	0.027 (3)	0.036 (4)	0.026 (3)	0.003 (3)	0.012 (3)	0.010 (3)
O2	0.061 (4)	0.013 (3)	0.040 (4)	−0.004 (3)	0.029 (3)	0.000 (3)
O3	0.023 (3)	0.030 (4)	0.049 (4)	0.011 (3)	0.005 (3)	0.008 (3)
O4	0.030 (4)	0.035 (4)	0.046 (4)	0.016 (3)	0.011 (3)	0.008 (3)
N1	0.021 (3)	0.015 (4)	0.022 (3)	0.005 (3)	0.011 (3)	0.009 (3)
N2	0.019 (3)	0.024 (4)	0.023 (4)	0.003 (3)	0.009 (3)	0.012 (3)
N3	0.018 (3)	0.023 (4)	0.023 (4)	0.012 (3)	0.007 (3)	0.015 (3)
N4	0.016 (3)	0.022 (4)	0.025 (4)	0.006 (3)	0.009 (3)	0.011 (3)
C1	0.024 (4)	0.024 (5)	0.031 (5)	0.011 (4)	0.008 (4)	0.006 (4)
C2	0.020 (4)	0.021 (5)	0.019 (4)	0.003 (4)	0.002 (3)	0.004 (4)
C3	0.016 (4)	0.029 (5)	0.015 (4)	0.003 (4)	0.002 (3)	0.005 (4)
C4	0.023 (4)	0.035 (5)	0.025 (5)	0.011 (4)	0.005 (4)	0.010 (4)
C5	0.030 (5)	0.045 (6)	0.028 (5)	0.011 (4)	0.015 (4)	0.000 (4)
C6	0.046 (6)	0.039 (6)	0.032 (5)	0.011 (5)	0.016 (5)	−0.005 (5)
C7	0.055 (6)	0.034 (6)	0.030 (5)	0.016 (5)	0.009 (5)	−0.008 (4)
C8	0.040 (5)	0.046 (6)	0.030 (5)	0.013 (5)	0.013 (4)	0.008 (5)
C9	0.035 (5)	0.021 (5)	0.032 (5)	0.002 (4)	0.016 (4)	−0.003 (4)
C10	0.026 (4)	0.033 (5)	0.023 (4)	0.010 (4)	0.008 (4)	0.012 (4)
C11	0.020 (4)	0.017 (4)	0.023 (4)	0.005 (3)	0.013 (3)	0.007 (3)
C12	0.019 (4)	0.013 (4)	0.029 (4)	0.003 (3)	0.013 (4)	0.008 (4)
C13	0.031 (5)	0.019 (4)	0.027 (5)	0.008 (4)	0.014 (4)	0.010 (4)
C14	0.026 (4)	0.022 (5)	0.023 (4)	0.000 (4)	0.009 (4)	−0.004 (4)
C15	0.038 (5)	0.034 (6)	0.032 (5)	−0.001 (4)	0.019 (5)	0.012 (4)
C16	0.043 (6)	0.032 (6)	0.030 (5)	0.002 (5)	0.011 (4)	0.017 (4)
C17	0.029 (5)	0.022 (5)	0.025 (4)	0.005 (4)	0.007 (4)	0.012 (4)
C18	0.034 (5)	0.037 (6)	0.029 (5)	0.013 (4)	0.004 (4)	0.014 (4)
C19	0.051 (6)	0.040 (6)	0.050 (6)	−0.006 (5)	0.020 (5)	0.020 (5)
C20	0.049 (6)	0.040 (6)	0.040 (6)	0.015 (5)	0.009 (5)	0.030 (5)
C21	0.026 (4)	0.022 (5)	0.028 (5)	0.004 (4)	0.019 (4)	0.005 (4)
C22	0.032 (5)	0.028 (5)	0.030 (5)	0.016 (4)	0.014 (4)	0.013 (4)
C23	0.020 (4)	0.042 (6)	0.046 (6)	0.008 (4)	0.016 (4)	0.010 (5)
C24	0.047 (6)	0.029 (5)	0.047 (6)	0.016 (4)	0.036 (5)	0.021 (5)
C25	0.047 (6)	0.042 (6)	0.029 (5)	0.020 (5)	0.023 (4)	0.019 (4)
C26	0.027 (4)	0.024 (5)	0.032 (5)	0.009 (4)	0.012 (4)	0.012 (4)
C27	0.032 (5)	0.050 (6)	0.045 (6)	0.019 (5)	0.018 (5)	0.023 (5)
C28	0.059 (7)	0.052 (7)	0.068 (7)	0.017 (6)	0.046 (6)	0.037 (6)
C29	0.034 (5)	0.062 (7)	0.026 (5)	0.015 (5)	0.007 (4)	0.010 (5)
C30	0.020 (4)	0.022 (5)	0.019 (4)	0.005 (4)	0.004 (4)	0.007 (4)
C31	0.021 (4)	0.018 (4)	0.025 (4)	0.012 (4)	0.011 (4)	0.007 (3)
C32	0.028 (5)	0.019 (5)	0.034 (5)	0.005 (4)	0.015 (4)	0.007 (4)
C33	0.028 (5)	0.030 (5)	0.035 (5)	0.010 (4)	0.019 (4)	0.024 (4)
C34	0.037 (5)	0.021 (5)	0.060 (6)	0.007 (4)	0.025 (5)	0.011 (5)
C35	0.051 (6)	0.016 (5)	0.065 (7)	0.011 (5)	0.031 (6)	0.003 (5)
C36	0.049 (6)	0.034 (6)	0.053 (6)	0.027 (5)	0.033 (5)	0.018 (5)
C37	0.032 (5)	0.041 (6)	0.045 (6)	0.022 (5)	0.022 (4)	0.026 (5)
C38	0.032 (5)	0.027 (5)	0.022 (4)	0.019 (4)	0.016 (4)	0.016 (4)
C39	0.024 (5)	0.021 (5)	0.024 (4)	0.010 (4)	0.010 (4)	0.008 (4)
C40	0.027 (4)	0.025 (5)	0.019 (4)	0.009 (4)	0.010 (4)	0.009 (4)
C41	0.018 (4)	0.023 (5)	0.023 (4)	0.013 (4)	0.006 (3)	0.007 (4)
C42	0.018 (4)	0.032 (5)	0.026 (4)	0.015 (4)	0.007 (4)	0.012 (4)
C43	0.028 (5)	0.029 (5)	0.028 (5)	0.008 (4)	0.013 (4)	0.006 (4)
C44	0.025 (5)	0.033 (5)	0.038 (5)	0.015 (4)	0.011 (4)	0.005 (4)
C45	0.032 (5)	0.045 (6)	0.027 (5)	0.025 (5)	0.006 (4)	0.023 (4)
C46	0.022 (4)	0.037 (5)	0.029 (5)	0.014 (4)	0.011 (4)	0.012 (4)
C47	0.036 (5)	0.043 (6)	0.043 (6)	0.017 (5)	0.018 (5)	0.027 (5)
C48	0.027 (5)	0.071 (8)	0.051 (6)	0.025 (5)	0.013 (5)	0.022 (6)
C49	0.041 (5)	0.048 (6)	0.040 (5)	0.024 (5)	0.017 (5)	0.032 (5)
C50	0.014 (4)	0.018 (4)	0.030 (5)	0.006 (3)	0.006 (4)	0.007 (4)
C51	0.031 (5)	0.040 (6)	0.030 (5)	0.016 (5)	0.005 (4)	0.013 (4)
C52	0.042 (6)	0.054 (7)	0.033 (6)	0.022 (6)	−0.009 (5)	0.006 (5)
C53	0.018 (5)	0.039 (6)	0.060 (7)	0.010 (4)	−0.001 (5)	−0.002 (5)
C54	0.019 (5)	0.027 (5)	0.058 (7)	0.001 (4)	0.013 (5)	0.003 (5)
C55	0.031 (5)	0.038 (6)	0.040 (5)	0.018 (4)	0.020 (4)	0.015 (5)
C56	0.081 (8)	0.043 (7)	0.049 (7)	0.012 (6)	0.019 (6)	0.032 (6)
C57	0.030 (6)	0.055 (8)	0.083 (9)	0.004 (6)	−0.013 (6)	−0.011 (7)
C58	0.045 (6)	0.054 (7)	0.059 (7)	0.002 (5)	0.025 (5)	0.032 (6)
Au2	0.0391 (2)	0.0412 (3)	0.0397 (2)	0.02189 (19)	0.01651 (18)	0.01764 (19)
Cl1	0.0633 (17)	0.070 (2)	0.0447 (16)	0.0420 (16)	0.0053 (13)	−0.0017 (14)
Cl2	0.0388 (13)	0.0661 (19)	0.0400 (14)	0.0124 (13)	0.0151 (11)	0.0210 (13)
Cl3	0.081 (2)	0.061 (2)	0.0505 (17)	0.0179 (17)	0.0020 (16)	0.0172 (15)
Cl4	0.0630 (18)	0.077 (2)	0.0490 (16)	0.0199 (16)	0.0185 (14)	0.0144 (15)
C59	0.042 (6)	0.050 (7)	0.054 (6)	0.007 (5)	0.016 (5)	0.028 (6)
Cl5	0.081 (2)	0.088 (3)	0.078 (2)	0.037 (2)	0.0255 (19)	0.039 (2)
Cl6	0.142 (3)	0.107 (3)	0.111 (3)	0.063 (3)	0.082 (3)	0.065 (3)
C60	0.108 (11)	0.089 (11)	0.091 (10)	0.041 (9)	0.054 (9)	0.062 (9)

Geometric parameters (Å, º)

Au1—C30	2.004 (8)	C28—H28C	0.9800
Au1—C1	2.013 (8)	C29—H29A	0.9800
O1—C3	1.210 (9)	C29—H29B	0.9800
O2—C10	1.212 (9)	C29—H29C	0.9800
O3—C32	1.181 (9)	C31—C40	1.363 (10)
O4—C39	1.218 (9)	C31—C32	1.484 (11)
N1—C1	1.372 (9)	C32—C33	1.509 (11)
N1—C2	1.396 (10)	C33—C34	1.376 (12)
N1—C12	1.450 (9)	C33—C38	1.408 (11)
N2—C1	1.341 (10)	C34—C35	1.392 (12)
N2—C11	1.373 (9)	C34—H34	0.9500
N2—C21	1.461 (9)	C35—C36	1.345 (13)
N3—C30	1.353 (10)	C35—H35	0.9500
N3—C31	1.375 (9)	C36—C37	1.398 (12)
N3—C41	1.467 (9)	C36—H36	0.9500
N4—C30	1.364 (9)	C37—C38	1.383 (10)
N4—C40	1.384 (10)	C37—H37	0.9500
N4—C50	1.462 (9)	C38—C39	1.484 (11)
C2—C11	1.364 (10)	C39—C40	1.459 (10)
C2—C3	1.454 (10)	C41—C42	1.360 (10)
C3—C4	1.457 (11)	C41—C46	1.395 (11)
C4—C5	1.388 (10)	C42—C43	1.405 (10)
C4—C9	1.410 (11)	C42—C47	1.511 (11)
C5—C6	1.379 (12)	C43—C44	1.366 (12)
C5—H5	0.9500	C43—H43	0.9500
C6—C7	1.380 (13)	C44—C45	1.388 (11)
C6—H6	0.9500	C44—C48	1.518 (11)
C7—C8	1.392 (11)	C45—C46	1.405 (10)
C7—H7	0.9500	C45—H45	0.9500
C8—C9	1.374 (12)	C46—C49	1.501 (11)
C8—H8	0.9500	C47—H47A	0.9800
C9—C10	1.502 (10)	C47—H47B	0.9800
C10—C11	1.455 (11)	C47—H47C	0.9800
C12—C13	1.375 (11)	C48—H48A	0.9800
C12—C17	1.398 (11)	C48—H48B	0.9800
C13—C14	1.411 (11)	C48—H48C	0.9800
C13—C18	1.507 (11)	C49—H49A	0.9800
C14—C15	1.372 (12)	C49—H49B	0.9800
C14—H14	0.9500	C49—H49C	0.9800
C15—C16	1.382 (12)	C50—C55	1.356 (11)
C15—C19	1.517 (12)	C50—C51	1.383 (11)
C16—C17	1.383 (11)	C51—C52	1.382 (12)
C16—H16	0.9500	C51—C56	1.512 (13)
C17—C20	1.520 (11)	C52—C53	1.378 (14)
C18—H18A	0.9800	C52—H52	0.9500
C18—H18B	0.9800	C53—C54	1.375 (14)
C18—H18C	0.9800	C53—C57	1.501 (13)
C19—H19A	0.9800	C54—C55	1.389 (12)
C19—H19B	0.9800	C54—H54	0.9500
C19—H19C	0.9800	C55—C58	1.515 (13)
C20—H20A	0.9800	C56—H56A	0.9800
C20—H20B	0.9800	C56—H56B	0.9800
C20—H20C	0.9800	C56—H56C	0.9800
C21—C26	1.394 (11)	C57—H57A	0.9800
C21—C22	1.402 (11)	C57—H57B	0.9800
C22—C23	1.407 (11)	C57—H57C	0.9800
C22—C27	1.475 (12)	C58—H58A	0.9800
C23—C24	1.364 (12)	C58—H58B	0.9800
C23—H23	0.9500	C58—H58C	0.9800
C24—C25	1.382 (12)	Au2—Cl2	2.254 (3)
C24—C28	1.520 (11)	Au2—Cl1	2.261 (3)
C25—C26	1.385 (11)	Cl3—C59	1.723 (10)
C25—H25	0.9500	Cl4—C59	1.739 (10)
C26—C29	1.502 (11)	C59—H59A	0.9900
C27—H27A	0.9800	C59—H59B	0.9900
C27—H27B	0.9800	Cl5—C60	1.748 (12)
C27—H27C	0.9800	Cl6—C60	1.729 (14)
C28—H28A	0.9800	C60—H60A	0.9900
C28—H28B	0.9800	C60—H60B	0.9900
C30—Au1—C1	173.9 (3)	N3—C30—N4	105.4 (6)
C1—N1—C2	109.4 (6)	N3—C30—Au1	129.3 (5)
C1—N1—C12	123.9 (6)	N4—C30—Au1	125.2 (6)
C2—N1—C12	126.5 (6)	C40—C31—N3	106.8 (7)
C1—N2—C11	111.1 (6)	C40—C31—C32	123.9 (7)
C1—N2—C21	124.4 (6)	N3—C31—C32	129.2 (7)
C11—N2—C21	124.5 (6)	O3—C32—C31	122.8 (7)
C30—N3—C31	110.9 (6)	O3—C32—C33	124.2 (8)
C30—N3—C41	122.8 (6)	C31—C32—C33	113.0 (7)
C31—N3—C41	126.1 (6)	C34—C33—C38	120.6 (8)
C30—N4—C40	110.1 (6)	C34—C33—C32	117.5 (8)
C30—N4—C50	121.9 (6)	C38—C33—C32	121.9 (8)
C40—N4—C50	128.0 (6)	C33—C34—C35	119.0 (9)
N2—C1—N1	105.9 (6)	C33—C34—H34	120.5
N2—C1—Au1	131.4 (6)	C35—C34—H34	120.5
N1—C1—Au1	122.0 (6)	C36—C35—C34	121.8 (9)
C11—C2—N1	106.5 (6)	C36—C35—H35	119.1
C11—C2—C3	124.1 (7)	C34—C35—H35	119.1
N1—C2—C3	129.3 (7)	C35—C36—C37	119.3 (8)
O1—C3—C2	123.0 (8)	C35—C36—H36	120.4
O1—C3—C4	122.8 (7)	C37—C36—H36	120.4
C2—C3—C4	114.2 (7)	C38—C37—C36	121.0 (8)
C5—C4—C9	118.6 (8)	C38—C37—H37	119.5
C5—C4—C3	118.2 (8)	C36—C37—H37	119.5
C9—C4—C3	123.3 (7)	C37—C38—C33	118.2 (8)
C6—C5—C4	120.4 (9)	C37—C38—C39	118.9 (7)
C6—C5—H5	119.8	C33—C38—C39	122.9 (7)
C4—C5—H5	119.8	O4—C39—C40	122.9 (7)
C5—C6—C7	120.7 (8)	O4—C39—C38	123.1 (7)
C5—C6—H6	119.6	C40—C39—C38	114.0 (7)
C7—C6—H6	119.6	C31—C40—N4	106.8 (6)
C6—C7—C8	119.7 (9)	C31—C40—C39	124.2 (7)
C6—C7—H7	120.1	N4—C40—C39	129.0 (7)
C8—C7—H7	120.1	C42—C41—C46	123.7 (7)
C9—C8—C7	119.8 (9)	C42—C41—N3	119.1 (7)
C9—C8—H8	120.1	C46—C41—N3	117.1 (6)
C7—C8—H8	120.1	C41—C42—C43	118.0 (7)
C8—C9—C4	120.7 (7)	C41—C42—C47	121.4 (7)
C8—C9—C10	118.6 (8)	C43—C42—C47	120.6 (7)
C4—C9—C10	120.5 (7)	C44—C43—C42	121.3 (7)
O2—C10—C11	122.9 (7)	C44—C43—H43	119.3
O2—C10—C9	122.4 (8)	C42—C43—H43	119.3
C11—C10—C9	114.6 (7)	C43—C44—C45	118.8 (7)
C2—C11—N2	107.1 (7)	C43—C44—C48	120.7 (8)
C2—C11—C10	123.0 (7)	C45—C44—C48	120.5 (8)
N2—C11—C10	129.9 (6)	C44—C45—C46	122.3 (8)
C13—C12—C17	122.7 (7)	C44—C45—H45	118.9
C13—C12—N1	118.4 (7)	C46—C45—H45	118.9
C17—C12—N1	118.8 (7)	C41—C46—C45	115.8 (7)
C12—C13—C14	117.7 (7)	C41—C46—C49	122.5 (7)
C12—C13—C18	122.7 (7)	C45—C46—C49	121.7 (7)
C14—C13—C18	119.6 (7)	C42—C47—H47A	109.5
C15—C14—C13	120.9 (8)	C42—C47—H47B	109.5
C15—C14—H14	119.5	H47A—C47—H47B	109.5
C13—C14—H14	119.5	C42—C47—H47C	109.5
C14—C15—C16	119.3 (8)	H47A—C47—H47C	109.5
C14—C15—C19	120.1 (8)	H47B—C47—H47C	109.5
C16—C15—C19	120.5 (8)	C44—C48—H48A	109.5
C15—C16—C17	121.9 (8)	C44—C48—H48B	109.5
C15—C16—H16	119.0	H48A—C48—H48B	109.5
C17—C16—H16	119.0	C44—C48—H48C	109.5
C16—C17—C12	117.3 (7)	H48A—C48—H48C	109.5
C16—C17—C20	121.7 (7)	H48B—C48—H48C	109.5
C12—C17—C20	121.1 (7)	C46—C49—H49A	109.5
C13—C18—H18A	109.5	C46—C49—H49B	109.5
C13—C18—H18B	109.5	H49A—C49—H49B	109.5
H18A—C18—H18B	109.5	C46—C49—H49C	109.5
C13—C18—H18C	109.5	H49A—C49—H49C	109.5
H18A—C18—H18C	109.5	H49B—C49—H49C	109.5
H18B—C18—H18C	109.5	C55—C50—C51	123.6 (8)
C15—C19—H19A	109.5	C55—C50—N4	119.1 (7)
C15—C19—H19B	109.5	C51—C50—N4	117.3 (7)
H19A—C19—H19B	109.5	C52—C51—C50	115.9 (9)
C15—C19—H19C	109.5	C52—C51—C56	122.4 (9)
H19A—C19—H19C	109.5	C50—C51—C56	121.6 (8)
H19B—C19—H19C	109.5	C53—C52—C51	123.3 (9)
C17—C20—H20A	109.5	C53—C52—H52	118.4
C17—C20—H20B	109.5	C51—C52—H52	118.4
H20A—C20—H20B	109.5	C54—C53—C52	117.5 (8)
C17—C20—H20C	109.5	C54—C53—C57	121.2 (10)
H20A—C20—H20C	109.5	C52—C53—C57	121.2 (10)
H20B—C20—H20C	109.5	C53—C54—C55	121.6 (9)
C26—C21—C22	123.4 (7)	C53—C54—H54	119.2
C26—C21—N2	119.1 (7)	C55—C54—H54	119.2
C22—C21—N2	117.5 (7)	C50—C55—C54	117.9 (8)
C21—C22—C23	115.1 (8)	C50—C55—C58	121.5 (8)
C21—C22—C27	121.0 (7)	C54—C55—C58	120.6 (9)
C23—C22—C27	123.8 (7)	C51—C56—H56A	109.5
C24—C23—C22	123.4 (8)	C51—C56—H56B	109.5
C24—C23—H23	118.3	H56A—C56—H56B	109.5
C22—C23—H23	118.3	C51—C56—H56C	109.5
C23—C24—C25	118.8 (7)	H56A—C56—H56C	109.5
C23—C24—C28	120.5 (8)	H56B—C56—H56C	109.5
C25—C24—C28	120.5 (8)	C53—C57—H57A	109.5
C24—C25—C26	121.7 (8)	C53—C57—H57B	109.5
C24—C25—H25	119.2	H57A—C57—H57B	109.5
C26—C25—H25	119.2	C53—C57—H57C	109.5
C25—C26—C21	117.5 (7)	H57A—C57—H57C	109.5
C25—C26—C29	121.2 (8)	H57B—C57—H57C	109.5
C21—C26—C29	121.2 (7)	C55—C58—H58A	109.5
C22—C27—H27A	109.5	C55—C58—H58B	109.5
C22—C27—H27B	109.5	H58A—C58—H58B	109.5
H27A—C27—H27B	109.5	C55—C58—H58C	109.5
C22—C27—H27C	109.5	H58A—C58—H58C	109.5
H27A—C27—H27C	109.5	H58B—C58—H58C	109.5
H27B—C27—H27C	109.5	Cl2—Au2—Cl1	177.45 (11)
C24—C28—H28A	109.5	Cl3—C59—Cl4	112.3 (6)
C24—C28—H28B	109.5	Cl3—C59—H59A	109.1
H28A—C28—H28B	109.5	Cl4—C59—H59A	109.1
C24—C28—H28C	109.5	Cl3—C59—H59B	109.1
H28A—C28—H28C	109.5	Cl4—C59—H59B	109.1
H28B—C28—H28C	109.5	H59A—C59—H59B	107.9
C26—C29—H29A	109.5	Cl6—C60—Cl5	113.6 (7)
C26—C29—H29B	109.5	Cl6—C60—H60A	108.8
H29A—C29—H29B	109.5	Cl5—C60—H60A	108.8
C26—C29—H29C	109.5	Cl6—C60—H60B	108.8
H29A—C29—H29C	109.5	Cl5—C60—H60B	108.8
H29B—C29—H29C	109.5	H60A—C60—H60B	107.7
C11—N2—C1—N1	1.7 (9)	C31—N3—C30—N4	−0.6 (8)
C21—N2—C1—N1	−178.7 (6)	C41—N3—C30—N4	−174.8 (6)
C11—N2—C1—Au1	171.8 (6)	C31—N3—C30—Au1	175.4 (6)
C21—N2—C1—Au1	−8.6 (12)	C41—N3—C30—Au1	1.2 (10)
C2—N1—C1—N2	−0.8 (8)	C40—N4—C30—N3	0.3 (8)
C12—N1—C1—N2	−176.5 (6)	C50—N4—C30—N3	179.3 (6)
C2—N1—C1—Au1	−172.0 (5)	C40—N4—C30—Au1	−175.9 (5)
C12—N1—C1—Au1	12.3 (10)	C50—N4—C30—Au1	3.1 (10)
C1—N1—C2—C11	−0.4 (9)	C30—N3—C31—C40	0.7 (8)
C12—N1—C2—C11	175.1 (7)	C41—N3—C31—C40	174.6 (6)
C1—N1—C2—C3	176.3 (7)	C30—N3—C31—C32	177.7 (7)
C12—N1—C2—C3	−8.2 (13)	C41—N3—C31—C32	−8.4 (12)
C11—C2—C3—O1	171.0 (8)	C40—C31—C32—O3	176.4 (8)
N1—C2—C3—O1	−5.1 (13)	N3—C31—C32—O3	−0.1 (13)
C11—C2—C3—C4	−6.8 (11)	C40—C31—C32—C33	−5.5 (11)
N1—C2—C3—C4	177.0 (7)	N3—C31—C32—C33	177.9 (7)
O1—C3—C4—C5	6.1 (12)	O3—C32—C33—C34	0.9 (12)
C2—C3—C4—C5	−176.1 (7)	C31—C32—C33—C34	−177.1 (7)
O1—C3—C4—C9	−174.5 (8)	O3—C32—C33—C38	−178.1 (8)
C2—C3—C4—C9	3.3 (11)	C31—C32—C33—C38	3.9 (10)
C9—C4—C5—C6	0.9 (13)	C38—C33—C34—C35	−2.8 (13)
C3—C4—C5—C6	−179.7 (8)	C32—C33—C34—C35	178.3 (8)
C4—C5—C6—C7	−0.2 (14)	C33—C34—C35—C36	0.7 (14)
C5—C6—C7—C8	1.6 (15)	C34—C35—C36—C37	1.6 (14)
C6—C7—C8—C9	−3.6 (14)	C35—C36—C37—C38	−2.0 (13)
C7—C8—C9—C4	4.3 (14)	C36—C37—C38—C33	0.0 (12)
C7—C8—C9—C10	179.9 (8)	C36—C37—C38—C39	−178.5 (7)
C5—C4—C9—C8	−2.9 (13)	C34—C33—C38—C37	2.4 (11)
C3—C4—C9—C8	177.7 (8)	C32—C33—C38—C37	−178.7 (7)
C5—C4—C9—C10	−178.4 (7)	C34—C33—C38—C39	−179.2 (8)
C3—C4—C9—C10	2.2 (13)	C32—C33—C38—C39	−0.3 (11)
C8—C9—C10—O2	3.0 (13)	C37—C38—C39—O4	−4.9 (12)
C4—C9—C10—O2	178.6 (8)	C33—C38—C39—O4	176.7 (7)
C8—C9—C10—C11	179.8 (8)	C37—C38—C39—C40	176.2 (7)
C4—C9—C10—C11	−4.6 (11)	C33—C38—C39—C40	−2.2 (11)
N1—C2—C11—N2	1.4 (8)	N3—C31—C40—N4	−0.5 (8)
C3—C2—C11—N2	−175.5 (7)	C32—C31—C40—N4	−177.6 (7)
N1—C2—C11—C10	−178.5 (7)	N3—C31—C40—C39	−179.4 (7)
C3—C2—C11—C10	4.6 (12)	C32—C31—C40—C39	3.4 (12)
C1—N2—C11—C2	−2.0 (9)	C30—N4—C40—C31	0.1 (8)
C21—N2—C11—C2	178.4 (7)	C50—N4—C40—C31	−178.8 (7)
C1—N2—C11—C10	177.9 (8)	C30—N4—C40—C39	179.0 (7)
C21—N2—C11—C10	−1.6 (13)	C50—N4—C40—C39	0.1 (13)
O2—C10—C11—C2	178.2 (8)	O4—C39—C40—C31	−178.2 (8)
C9—C10—C11—C2	1.3 (11)	C38—C39—C40—C31	0.7 (11)
O2—C10—C11—N2	−1.8 (14)	O4—C39—C40—N4	3.1 (13)
C9—C10—C11—N2	−178.6 (7)	C38—C39—C40—N4	−178.0 (7)
C1—N1—C12—C13	77.4 (9)	C30—N3—C41—C42	82.9 (10)
C2—N1—C12—C13	−97.6 (9)	C31—N3—C41—C42	−90.4 (9)
C1—N1—C12—C17	−104.3 (9)	C30—N3—C41—C46	−95.9 (9)
C2—N1—C12—C17	80.8 (9)	C31—N3—C41—C46	90.8 (9)
C17—C12—C13—C14	−2.0 (11)	C46—C41—C42—C43	−1.7 (13)
N1—C12—C13—C14	176.2 (6)	N3—C41—C42—C43	179.6 (7)
C17—C12—C13—C18	175.8 (7)	C46—C41—C42—C47	178.4 (8)
N1—C12—C13—C18	−6.0 (11)	N3—C41—C42—C47	−0.3 (12)
C12—C13—C14—C15	−0.1 (11)	C41—C42—C43—C44	0.9 (13)
C18—C13—C14—C15	−178.0 (8)	C47—C42—C43—C44	−179.2 (8)
C13—C14—C15—C16	2.9 (12)	C42—C43—C44—C45	−0.5 (13)
C13—C14—C15—C19	178.8 (8)	C42—C43—C44—C48	177.5 (8)
C14—C15—C16—C17	−3.7 (13)	C43—C44—C45—C46	0.9 (14)
C19—C15—C16—C17	−179.7 (8)	C48—C44—C45—C46	−177.1 (8)
C15—C16—C17—C12	1.7 (13)	C42—C41—C46—C45	2.0 (13)
C15—C16—C17—C20	−179.1 (8)	N3—C41—C46—C45	−179.3 (7)
C13—C12—C17—C16	1.2 (12)	C42—C41—C46—C49	−179.4 (8)
N1—C12—C17—C16	−177.0 (7)	N3—C41—C46—C49	−0.7 (12)
C13—C12—C17—C20	−178.0 (7)	C44—C45—C46—C41	−1.6 (13)
N1—C12—C17—C20	3.8 (11)	C44—C45—C46—C49	179.8 (9)
C1—N2—C21—C26	−96.3 (10)	C30—N4—C50—C55	84.0 (9)
C11—N2—C21—C26	83.2 (10)	C40—N4—C50—C55	−97.2 (9)
C1—N2—C21—C22	85.4 (10)	C30—N4—C50—C51	−95.1 (9)
C11—N2—C21—C22	−95.0 (9)	C40—N4—C50—C51	83.6 (9)
C26—C21—C22—C23	−0.8 (12)	C55—C50—C51—C52	−1.6 (12)
N2—C21—C22—C23	177.4 (7)	N4—C50—C51—C52	177.6 (7)
C26—C21—C22—C27	−178.0 (8)	C55—C50—C51—C56	178.6 (8)
N2—C21—C22—C27	0.2 (12)	N4—C50—C51—C56	−2.2 (12)
C21—C22—C23—C24	0.8 (13)	C50—C51—C52—C53	−0.4 (14)
C27—C22—C23—C24	177.9 (9)	C56—C51—C52—C53	179.4 (9)
C22—C23—C24—C25	−1.0 (14)	C51—C52—C53—C54	1.5 (14)
C22—C23—C24—C28	−176.4 (9)	C51—C52—C53—C57	179.3 (9)
C23—C24—C25—C26	1.1 (14)	C52—C53—C54—C55	−0.7 (13)
C28—C24—C25—C26	176.5 (8)	C57—C53—C54—C55	−178.4 (8)
C24—C25—C26—C21	−1.1 (13)	C51—C50—C55—C54	2.4 (12)
C24—C25—C26—C29	−177.2 (8)	N4—C50—C55—C54	−176.8 (7)
C22—C21—C26—C25	1.0 (12)	C51—C50—C55—C58	179.9 (8)
N2—C21—C26—C25	−177.2 (7)	N4—C50—C55—C58	0.8 (12)
C22—C21—C26—C29	177.0 (8)	C53—C54—C55—C50	−1.2 (13)
N2—C21—C26—C29	−1.1 (12)	C53—C54—C55—C58	−178.8 (8)

Selected bond lengths (Å) and angles (°) for compounds 2 and 4

Please define Imi-1 and Imi-2. Do square brackets indicate averages?

Compound	[(NQMes)2Au]Cl, 2	[(NQMes)2Au][AuCl2], 4
Au—C(carbene)	2.017[5]	2.004[8]
C(carbene)—N1/C(carbene)—N2	1.356 (6)/1.364 (6)	1.369 (9)/1.347 (11)
N1—C11/N2—C2	1.385 (6)/1.388 (6)	1.400 (10)/1.374 (9)
C2—C11	1.384 (7)	1.366 (11)
C2—C3	1.468 (7)	1.454 (10)
C3—O2	1.214 (7)	1.212 (9)
Cl1—Au2		2.263 (3)
Au2—Cl2		2.255 (3)
C(carbene)—Au—C(carbene)	173.7[2]	173.8[3]
N1—C(carbene)—N2	106.4 (4)	105.8 (7)
C1—N2—C2	109.4 (4)	109.5 (6)
C1—N1—C11	109.3 (4)	111.2 (6)
Imi-1(plane)—Au—Imi-2(plane)	69.7	62.27