Crystallography Open Database

Information card for entry 7127179

Preview

Coordinates	7127179.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H36 Cl N2 Ni Rh S2
Calculated formula	C19 H36 Cl N2 Ni Rh S2
SMILES	[Rh]1234567([Ni]89%10(Cl)([S]1CC[N]9(C)CCC[N]%10(C)CC[S]28)[H]7)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
Title of publication	A NiRhS fuel cell catalyst - lessons from hydrogenase.
Authors of publication	Ogo, Seiji; Ando, Tatsuya; Minh, Le Tu Thi; Mori, Yuki; Matsumoto, Takahiro; Yatabe, Takeshi; Yoon, Ki-Seok; Sato, Yukio; Hibino, Takashi; Kaneko, Kenji
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	79
Pages of publication	11787 - 11790
a	15.669 ± 0.006 Å
b	14.306 ± 0.005 Å
c	20.014 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	4486 ± 3 Å³
Cell temperature	103 K
Ambient diffraction temperature	103 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1104
Residual factor for significantly intense reflections	0.0896
Weighted residual factors for significantly intense reflections	0.1807
Weighted residual factors for all reflections included in the refinement	0.1919
Goodness-of-fit parameter for all reflections included in the refinement	1.22
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
260645 (current)	2021-01-07	cif/ Updating files of 7127178, 7127179 Original log message: Adding full bibliography for 7127178--7127179.cif.	7127179.cif
255881	2020-09-04	cif/ Adding structures of 7127178, 7127179 via cif-deposit CGI script.	7127179.cif