Crystallography Open Database

Information card for entry 7133391

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Coordinates	7133391.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H16 N6 Ni O4
Calculated formula	C15 H16 N6 Ni O4
Title of publication	Pressure-induced single-crystal-to-single-crystal nitrite ligand isomerisation accompanied by a piezochromic effect.
Authors of publication	Potempa, Kinga; Paliwoda, Damian; Jarzembska, Katarzyna N.; Kamiński, Radosław; Krówczyński, Adam; Borowski, Patryk; Hanfland, Michael
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	69
Pages of publication	9194 - 9197
a	13.5175 ± 0.0017 Å
b	9.6 ± 0.002 Å
c	13.278 ± 0.003 Å
α	90°
β	110.466 ± 0.016°
γ	90°
Cell volume	1614.3 ± 0.6 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0696
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for significantly intense reflections	0.1619
Weighted residual factors for all reflections included in the refinement	0.1716
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.40965 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
294415 (current)	2024-09-06	cif/ Updating files of 7133389, 7133390, 7133391, 7133392, 7133393, 7133394, 7133395, 7133396, 7133397, 7133398, 7133399, 7133400, 7133401, 7133402, 7133403, 7133404, 7133405, 7133406, 7133407 Original log message: Adding full bibliography for 7133389--7133407.cif.	7133391.cif
293530	2024-07-25	cif/ Adding structures of 7133389, 7133390, 7133391, 7133392, 7133393, 7133394, 7133395, 7133396, 7133397, 7133398, 7133399, 7133400, 7133401, 7133402, 7133403, 7133404, 7133405, 7133406, 7133407 via cif-deposit CGI script.	7133391.cif