Crystallography Open Database

Information card for entry 1571984

1571983 << 1571984 >> 1571985

Preview

Coordinates	1571984.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C276 H216 Au28 P8
Calculated formula	C276 H216 Au28 P8
SMILES	Cc1c[c]2[Au]3456[Au]789%10[Au]%11%12%13%14([Au]%15%16%17%18[Au]%19%20%21%22[Au]%23%247%11([Au]7%11%254([Au]4%26([Au]%27%28%29%19([Au]3%12%15([Au]54%28[P](c3ccccc3)(c3ccccc3)c3ccccc3)([c]3%29[c]%18([Au]%16%27[P](c4ccccc4)(c4ccccc4)c4ccccc4)c4c(cccc4)c(c3)C)[c]36[c]9%14cc(C)c4c3cccc4)[c]3%26[c]%22cc(c4c3cccc4)C)([Au]%20%237[P](c3ccccc3)(c3ccccc3)c3ccccc3)[c]2%25c2ccccc12)[Au]8([c]1%10c2c(c(c[c]%24%111)C)cccc2)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[c]1%21[c]%13%17cc(C)c2c1cccc2)[Au]12345[Au]6789[Au]%10%11%12%13[Au]%14%15%162([Au]2%17%181[Au]1%19%20%21[Au]%22%2336([Au]36%24%10([Au]%10%25([Au]%26%141([Au]2([c]1%18c2c(c(c[c]%16%261)C)cccc2)[P](c1ccccc1)(c1ccccc1)c1ccccc1)([Au]%11%15%10[P](c1ccccc1)(c1ccccc1)c1ccccc1)[c]1%25[c]%20cc(C)c2ccccc12)([Au]%19%223[P](c1ccccc1)(c1ccccc1)c1ccccc1)[c]16[c]%13cc(c2c1cccc2)C)[Au]7([c]19[c]%23%24cc(c2c1cccc2)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[c]1%21[c]5%17cc(C)c2c1cccc2)[c]1%12[c]48cc(C)c2c1cccc2
Title of publication	Divergent catalytic behaviors of assembled organogold(i) clusters derived from enyne cyclization.
Authors of publication	Liu, Qian; Zhai, Xiao-Yi; Jian, Rui-Jun; Zhao, Liang
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	29
Pages of publication	11311 - 11320
a	47.3293 ± 0.0007 Å
b	20.0353 ± 0.0005 Å
c	41.2327 ± 0.0006 Å
α	90°
β	114.081 ± 0.002°
γ	90°
Cell volume	35696.4 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0753
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1678
Weighted residual factors for all reflections included in the refinement	0.1809
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
293736 (current)	2024-08-05	cif/ Updating files of 1571982, 1571983, 1571984, 1571985 Original log message: Adding full bibliography for 1571982--1571985.cif.	1571984.cif
292549	2024-06-25	cif/ Adding structures of 1571982, 1571983, 1571984, 1571985 via cif-deposit CGI script.	1571984.cif