Crystallography Open Database

Information card for entry 7119154

7119153 << 7119154 >> 7119155

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Coordinates	7119154.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H Ne0.46 Ni O3
Calculated formula	C4 H Ne0.4605 Ni O3
Title of publication	Capturing neon – the first experimental structure of neon trapped within a metal-organic environment
Authors of publication	Wood, Peter A.; Sarjeant, Amy A.; Yakovenko, Andrey A.; Ward, Suzanna C.; Groom, Colin R.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2016
Journal volume	52
Journal issue	65
Pages of publication	10048 - 10051
a	25.7542 ± 0.0003 Å
b	25.7542 ± 0.0003 Å
c	6.755 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	3880.18 ± 0.18 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.028
Residual factor for significantly intense reflections	0.028
Weighted residual factors for all reflections	0.0412
Weighted residual factors for significantly intense reflections	0.0412
Goodness-of-fit parameter for all reflections	3.13
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.72768 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
275240 (current)	2022-05-09	cif/7/11/91/ Updated bibliographic information in entries 7119154-7119159.	7119154.cif
185864	2016-08-17	cif/ Adding structures of 7119154 via cif-deposit CGI script.	7119154.cif