Crystallography Open Database

Information card for entry 7706957

Preview

Coordinates	7706957.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	20180728_mikami_R3c
Formula	C966 H768 Ag36 B12 Cl72 Cu12 F48 P36
Calculated formula	C966 H768 Ag36 B12 Cl72 Cu12 F48 P36
Title of publication	The [Ag<sub>25</sub>Cu<sub>4</sub>H<sub>8</sub>Br<sub>6</sub>(CCPh)<sub>12</sub>(PPh<sub>3</sub>)<sub>12</sub>]<sup>3+</sup> : Ag<sub>13</sub>H<sub>8</sub> silver hydride core protected by [CuAg<sub>3</sub>(CCPh)<sub>3</sub>(PPh<sub>3</sub>)<sub>3</sub>]<sup>+</sup> motifs.
Authors of publication	Mikami, Kaiyu; Hui, Shen; Kubo, Kazuyuki; Kume, Shoko; Mizuta, Tsutomu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	16
Pages of publication	5659 - 5665
a	19.005 ± 0.008 Å
b	19.005 Å
c	70.25 ± 0.03 Å
α	90°
β	90°
γ	120°
Cell volume	21974 ± 13 Å³
Cell temperature	173 ± 0.2 K
Ambient diffraction temperature	173 ± 0.2 K
Number of distinct elements	8
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0502
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1147
Weighted residual factors for all reflections included in the refinement	0.1237
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKa
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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