Crystallography Open Database

Information card for entry 4132482

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Coordinates	4132482.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H108 Au14 Cd S12
Calculated formula	C48 H108 Au14 Cd S12
Title of publication	Total Structure Determination of Au<sub>16</sub>(S-Adm)<sub>12</sub> and Cd<sub>1</sub>Au<sub>14</sub>(S tBu)<sub>12</sub> and Implications for the Structure of Au<sub>15</sub>(SR)<sub>13</sub>.
Authors of publication	Yang, Sha; Chen, Shuang; Xiong, Lin; Liu, Chong; Yu, Haizhu; Wang, Shuxin; Rosi, Nathaniel L.; Pei, Yong; Zhu, Manzhou
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	35
Pages of publication	10988 - 10994
a	22.96 ± 0.004 Å
b	20.862 ± 0.003 Å
c	19.584 ± 0.003 Å
α	90°
β	97.508 ± 0.002°
γ	90°
Cell volume	9300 ± 3 Å³
Cell temperature	296 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
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	0.1033
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1287
Weighted residual factors for all reflections included in the refinement	0.1403
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
242455 (current)	2019-11-26	cif/ Adding structures of 4132482 via cif-deposit CGI script.	4132482.cif