Crystallography Open Database

Information card for entry 1575005

Preview

Coordinates	1575005.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H15 N3 O
Calculated formula	C17 H15 N3 O
Title of publication	Understanding the factors governing the ammonia oxidation reaction by a mononuclear ruthenium complex
Authors of publication	Chen, Guo; Ding, Xiao-Lv; He, Piao; Cheng, Tao; Chen, Yang; Lin, Jian; Zhang, Xi; Zhao, Shan; Qiao, Na; Yi, Xiao-Yi
Journal of publication	Chemical Science
Year of publication	2025
Journal volume	16
Journal issue	17
Pages of publication	7573 - 7578
a	9.4605 ± 0.0005 Å
b	9.5615 ± 0.0004 Å
c	9.9418 ± 0.0004 Å
α	116.535 ± 0.004°
β	108.263 ± 0.005°
γ	100.865 ± 0.004°
Cell volume	704.62 ± 0.08 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.077
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1808
Weighted residual factors for all reflections included in the refinement	0.1971
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300325 (current)	2025-07-04	cif/ Adding structures of 1575004, 1575005 via cif-deposit CGI script.	1575005.cif