Crystallography Open Database

Information card for entry 1571590

Preview

Coordinates	1571590.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C235 H212 Ag12 Au30
Calculated formula	C235 H211.5 Ag12 Au30
SMILES	[Au]123[Au]4([Au]51[Au]2([Au]([C](#Cc1ccc(cc1C)C)[Au])C#[C]([Au])c1ccc(cc1C)C)[Au]1([Ag]5[C](#Cc2ccc(cc2C)C)[Au]2[Au][Au]([C](#Cc5ccc(cc5C)C)[Ag]3[Au]4([C](#Cc3ccc(cc3C)C)[Ag][C]2#Cc2ccc(cc2C)C)[C](#Cc2ccc(cc2C)C)[Ag])[C](#Cc2ccc(cc2C)C)[Ag][C]1#Cc1ccc(cc1C)C)[C](#Cc1ccc(cc1C)C)[Ag])[Au]([Ag][C](#Cc1ccc(cc1C)C)[Au]([Au]([Au]1[Au]2[Au]([Au](C#[C]([Au])c3ccc(cc3C)C)[C](#Cc3ccc(cc3C)C)[Au])[Au]([C](#Cc3ccc(cc3C)C)[Ag])[C](#Cc3ccc(cc3C)C)[Ag][C]([Au]([Au]12)[C](#Cc1ccc(cc1C)C)[Ag])#Cc1ccc(cc1C)C)[Au]([C]([Au])#Cc1ccc(cc1C)C)[C](#Cc1ccc(cc1C)C)[Au])[C](#Cc1ccc(cc1C)C)[Ag][C](#Cc1ccc(cc1C)C)[Au][C](#Cc1ccc(cc1C)C)[Ag])(C#[C]([Au])c1ccc(cc1C)C)[C](#Cc1ccc(cc1C)C)[Au]
Title of publication	Diachronic evolvement from tetra-icosahedral to quasi-hexagonal close-packed bimetal clusters.
Authors of publication	Tang, Shisi; Wang, Endong; Wu, Yanzhen; Song, Tongxin; Zhou, Meng; Cai, Xiao; Gao, Yi; Ding, Weiping; Zhu, Yan
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	22
Pages of publication	8372 - 8379
a	21.3484 ± 0.0014 Å
b	29.2299 ± 0.0019 Å
c	40.094 ± 0.003 Å
α	79.787 ± 0.001°
β	75.632 ± 0.001°
γ	89.066 ± 0.001°
Cell volume	23842 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1451
Residual factor for significantly intense reflections	0.0809
Weighted residual factors for significantly intense reflections	0.201
Weighted residual factors for all reflections included in the refinement	0.265
Goodness-of-fit parameter for all reflections included in the refinement	1.19
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
299904 (current)	2025-06-02	cif/1: Fixing Z values and formulae	1571590.cif
292864	2024-07-05	cif/ Updating files of 1571589, 1571590 Original log message: Adding full bibliography for 1571589--1571590.cif.	1571590.cif
291777	2024-05-09	cif/ Adding structures of 1571589, 1571590 via cif-deposit CGI script.	1571590.cif