Crystallography Open Database

Information card for entry 7711462

Preview

Coordinates	7711462.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	C7
Formula	C61 H52 Au2 O P2
Calculated formula	C61 H52 Au2 O P2
SMILES	[Au](C#Cc1cc2Cc3ccccc3c2cc1)[P](c1ccccc1)(c1ccccc1)CCCC[P]([Au]C#Cc1cc2Cc3ccccc3c2cc1)(c1ccccc1)c1ccccc1.O=C(C)C
Title of publication	Development of gold(i) phosphorescent tweezers for sensing applications
Authors of publication	de Aquino, Araceli; Caparrós, Francisco J.; Aullón, Gabriel; Truong, Khai-Nghi; Rissanen, Kari; Lima, João Carlos; Rodríguez, Laura
Journal of publication	Dalton Transactions
Year of publication	2022
a	11.4012 ± 0.0002 Å
b	12.0453 ± 0.0003 Å
c	22.9156 ± 0.0007 Å
α	98.227 ± 0.001°
β	95.386 ± 0.001°
γ	117.227 ± 0.002°
Cell volume	2723.76 ± 0.13 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0741
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.0905
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
278536 (current)	2022-10-12	cif/ Adding structures of 7711462 via cif-deposit CGI script.	7711462.cif