Crystallography Open Database

Information card for entry 4127508

Preview

Coordinates	4127508.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C162 H182 Cu6 F24 N8 P16
Calculated formula	C162 H182 Cu6 F24 N8 P16
Title of publication	Synergistic Cu<sub>2</sub> Catalysts for Formic Acid Dehydrogenation.
Authors of publication	Nakajima, Takayuki; Kamiryo, Yoshia; Kishimoto, Masayo; Imai, Kaho; Nakamae, Kanako; Ura, Yasuyuki; Tanase, Tomoaki
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	22
Pages of publication	8732 - 8736
a	20.1652 ± 0.0001 Å
b	22.4654 ± 0.0002 Å
c	24.3771 ± 0.0001 Å
α	70.24 ± 0.003°
β	69.104 ± 0.003°
γ	86.578 ± 0.004°
Cell volume	9686.2 ± 0.3 Å³
Cell temperature	153 K
Ambient diffraction temperature	153 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	0.0561
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1278
Weighted residual factors for all reflections included in the refinement	0.1387
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4127508.html