Table 1.

Summary of crystallographic data for Au₁₀₂(p-MBA)_x(p-BBT)_y single-crystals.

	Ligand Exchange	Wild Type
Location for data collection	ALS BL 4.2.2	SSRL BL 11-1
Symmetry Group	C2/c	C2/c
Unit cell dimensions	30.33 Å × 57.05 Å × 38.18 Å	30.40 Å × 58.18 Å × 37.91 Å
Resolution (Å)	1.5 Å	1.5 Å
Wavelength (Å)	0.827Å	0.979 Å
Number of unique reflections	9,334	9,234
Completeness (%)*	95.8% (92.9%)	95.5% (94.1%)
<I/σI>*	9.3 (2.55)	21.34 (12.49)
Rsym‡ (%)*	11.9% (50.0%)	7.28% (16.89%)
§ R (%)*	8.40% (14.72%)	8.01% (9.14%)
Free R¶ (%)*	18.30% (24.59%)	9.98% (11.22%)
GooF	1.08	1.037

^*Number in parentheses represents the value for highest resolution shell

^‡R_sym = ΣΣ|I_j - <I>|ΣΣ_j|I_j|

^§ $\mathrm{R}=\frac{\mathrm{\sum }\Vert {\mathrm{F}}_{\text{obs}}\mid -\mid {\mathrm{F}}_{\text{calc}}\Vert }{\mathrm{\sum }\mid {\mathrm{F}}_{\text{obs}}\mid }$

Free R calculated from 5% of reflections chosen at random