Crystallography Open Database

Information card for entry 7119159

7119158 << 7119159 >> 7119160

Preview

Coordinates	7119159.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8.5 H7 Cu N5 Ne0.179 O2
Calculated formula	C8.5 H7 Cu N5 Ne0.179 O2
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	28.7444 ± 0.0011 Å
b	9.2672 ± 0.0005 Å
c	9.3295 ± 0.0004 Å
α	90°
β	116.097 ± 0.003°
γ	90°
Cell volume	2231.83 ± 0.19 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0354
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for all reflections	0.0537
Weighted residual factors for significantly intense reflections	0.0535
Goodness-of-fit parameter for all reflections	4.28
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.	7119159.cif
185869	2016-08-17	cif/ Adding structures of 7119159 via cif-deposit CGI script.	7119159.cif