Crystallography Open Database

Information card for entry 1572644

Preview

Coordinates	1572644.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H49 Au B9 N4 O2 P2
Calculated formula	C24 H49 Au B9 N4 O2 P2
SMILES	[C]1234[C]56([BH]782[BH]291[BH]1%107[BH]7%112[BH]39[BH]27[BH]31%11[BH]52[BH]68%103)[P]1([Au]2(Oc3c(cccc3)O2)[P]24N(CCN2C(C)C)C(C)C)N(CCN1C(C)C)C(C)C
Title of publication	Catechol/<i>o</i>-benzoquinone exchange at gold(iii).
Authors of publication	León, Félix; García-Rodeja, Yago; Mallet-Ladeira, Sonia; Miqueu, Karinne; Szalóki, György; Bourissou, Didier
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	40
Pages of publication	16651 - 16659
a	9.5342 ± 0.0008 Å
b	17.6708 ± 0.0015 Å
c	10.3038 ± 0.0009 Å
α	90°
β	95.66 ± 0.002°
γ	90°
Cell volume	1727.5 ± 0.3 Å³
Cell temperature	192 ± 2 K
Ambient diffraction temperature	192 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.044
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0694
Weighted residual factors for all reflections included in the refinement	0.0732
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
296427 (current)	2024-12-06	cif/ Updating files of 1572639, 1572640, 1572641, 1572642, 1572643, 1572644, 1572645 Original log message: Adding full bibliography for 1572639--1572645.cif.	1572644.cif
294831	2024-09-21	cif/ Adding structures of 1572639, 1572640, 1572641, 1572642, 1572643, 1572644, 1572645 via cif-deposit CGI script.	1572644.cif