Crystallography Open Database

Information card for entry 7710358

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Coordinates	7710358.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H70 Au Cl7 N6 O4 P2
Calculated formula	C70 H70 Au Cl7 N6 O4 P2
Title of publication	Aggregation of gold(i) complexes: phosphorescence vs. singlet oxygen production
Authors of publication	Pinto, Andrea; Ward, Jas S.; Rissanen, Kari; Smith, Martin; Rodríguez, Laura
Journal of publication	Dalton Transactions
Year of publication	2022
a	20.0915 ± 0.0006 Å
b	14.577 ± 0.0004 Å
c	24.3861 ± 0.0007 Å
α	90°
β	107.129 ± 0.001°
γ	90°
Cell volume	6825.3 ± 0.3 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0569
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.12
Weighted residual factors for all reflections included in the refinement	0.1244
Goodness-of-fit parameter for all reflections included in the refinement	1.278
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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