Crystallography Open Database

Information card for entry 1567505

Preview

Coordinates	1567505.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H29 F12 N9 P2 Ru
Calculated formula	C30 H29 F12 N9 P2 Ru
Title of publication	Insights into the directions to increase turnover frequency and turnover number during photochemical water oxidation with molecular Ru catalysts
Authors of publication	Pokhrel, Indira; Reddy, Guda Dinneswara; Kwon, Taejin; Choi, Eungyeong; Chun, Yu Sung; Lee, Sang Tak; Sung, Bong June; Lee, Duck Hyung; Bin Oh, Han; Yoon, Kyung Byung
Journal of publication	Energy & Environmental Science
Year of publication	2022
Journal volume	15
Journal issue	10
Pages of publication	4259 - 4288
a	8.2606 ± 0.0004 Å
b	10.798 ± 0.0005 Å
c	20.5518 ± 0.001 Å
α	77.5866 ± 0.0017°
β	84.0528 ± 0.0019°
γ	84.8406 ± 0.0018°
Cell volume	1776.36 ± 0.15 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 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	0.0549
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0796
Weighted residual factors for all reflections included in the refinement	0.0875
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
278984 (current)	2022-11-07	cif/ Updating files of 1567503, 1567504, 1567505 Original log message: Adding full bibliography for 1567503--1567505.cif.	1567505.cif
277335	2022-08-20	cif/ Adding structures of 1567503, 1567504, 1567505 via cif-deposit CGI script.	1567505.cif