Crystallography Open Database

Information card for entry 7230565

Preview

Coordinates	7230565.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H31.66 N7.23 Ni O6
Calculated formula	C20 H31.6768 N7.226 Ni O6
Title of publication	Single crystal-to-single crystal transformations induced by ammonia‒water equilibrium changes
Authors of publication	Daszkiewicz, Marek; Puszyńska-Tuszkanow, Mariola; Staszak, Zbigniew; Chojnacka, Ida; Fałtynowicz, Hanna; Cieślak-Golonka, Maria
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	21
Pages of publication	2907
a	6.7306 ± 0.0012 Å
b	8.9921 ± 0.0013 Å
c	10.4338 ± 0.0015 Å
α	95.898 ± 0.012°
β	91.502 ± 0.013°
γ	99.545 ± 0.014°
Cell volume	618.84 ± 0.17 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0653
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1394
Weighted residual factors for all reflections included in the refinement	0.1507
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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
229110 (current)	2019-11-17	cif/ Updating files of 7230563, 7230564, 7230565 Original log message: Adding full bibliography for 7230563--7230565.cif.	7230565.cif
207483	2018-04-26	cif/ Adding structures of 7230563, 7230564, 7230565 via cif-deposit CGI script.	7230565.cif