Crystallography Open Database

Information card for entry 7133990

Preview

Coordinates	7133990.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H14 N2 Ni O
Calculated formula	C17 H14 N2 Ni O
Title of publication	Electrochemical aldehyde hydrogenation: probing the inner-sphere strategy with nickel-bipyridine complexes.
Authors of publication	Durin, Gabriel; Lee, Mijung; Pogany, Martina A.; Kahl, Christian; Weyhermüller, Thomas; Leitner, Walter; Kaeffer, Nicolas
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	3
Pages of publication	520 - 523
a	6.8635 ± 0.0003 Å
b	22.7679 ± 0.0009 Å
c	8.8158 ± 0.0003 Å
α	90°
β	94.763 ± 0.002°
γ	90°
Cell volume	1372.87 ± 0.09 Å³
Cell temperature	85 ± 2 K
Ambient diffraction temperature	85 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0352
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.0717
Weighted residual factors for all reflections included in the refinement	0.0743
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298083 (current)	2025-03-04	cif/ Updating files of 7133990 Original log message: Adding full bibliography for 7133990.cif.	7133990.cif
296064	2024-11-23	cif/ Adding structures of 7133990 via cif-deposit CGI script.	7133990.cif