Crystallography Open Database

Information card for entry 7119156

7119155 << 7119156 >> 7119157

Preview

Coordinates	7119156.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8.5 H7 Cu N5 Ne0.446 O2
Calculated formula	C8.5 H7 Cu N5 Ne0.4455 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	28.6315 ± 0.0013 Å
b	9.2743 ± 0.0005 Å
c	9.2833 ± 0.0005 Å
α	90°
β	116.615 ± 0.004°
γ	90°
Cell volume	2203.9 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.032
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for all reflections	0.0432
Weighted residual factors for significantly intense reflections	0.043
Goodness-of-fit parameter for all reflections	3.51
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.	7119156.cif
185866	2016-08-17	cif/ Adding structures of 7119156 via cif-deposit CGI script.	7119156.cif