Crystallography Open Database

Information card for entry 1557657

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Structure parameters

Formula	C110 H130 Au4 B Cu5 P4 S6
Calculated formula	C110 H130 Au4 B Cu5 P4 S6
Title of publication	Reversible Cu–S Motif Transformation and Au4 Distortion via Thiol Ligand Exchange Engineering
Authors of publication	Zhou, Manman; Jin, Shan; Wei, Xiao; Yuan, Qianqin; Wang, Shuxin; Du, Yuanxin; Zhu, Manzhou
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2020
Journal volume	124
Journal issue	13
Pages of publication	7531 - 7538
a	24.3967 ± 0.0005 Å
b	24.77 ± 0.0005 Å
c	18.4252 ± 0.0003 Å
α	90°
β	108.384 ± 0.001°
γ	90°
Cell volume	10566.2 ± 0.4 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 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	0.0486
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0964
Weighted residual factors for all reflections included in the refinement	0.1017
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1557657.cif
257157	2020-10-04	cif/ Updating files of 1557657 Original log message: Adding full bibliography for 1557657.cif.	1557657.cif
250118	2020-04-04	cif/ Updating files of 1557657 Original log message: Adding full bibliography for 1557657.cif.	1557657.cif
249712	2020-03-26	cif/ Adding structures of 1557657 via cif-deposit CGI script.	1557657.cif