Crystallography Open Database

Information card for entry 4132483

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Coordinates	4132483.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C123 H185 Au14 Cd Cl6 S12
Calculated formula	C123 H185 Au14 Cd Cl6 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	16.476 ± 0.002 Å
b	16.719 ± 0.002 Å
c	30.157 ± 0.004 Å
α	80.994 ± 0.002°
β	82.064 ± 0.002°
γ	62.481 ± 0.002°
Cell volume	7255.9 ± 1.6 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1413
Residual factor for significantly intense reflections	0.0679
Weighted residual factors for significantly intense reflections	0.1542
Weighted residual factors for all reflections included in the refinement	0.1719
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
242456 (current)	2019-11-26	cif/ Adding structures of 4132483 via cif-deposit CGI script.	4132483.cif