Crystallography Open Database

Information card for entry 7119157

7119156 << 7119157 >> 7119158

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Coordinates	7119157.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8.5 H7 Cu N5 Ne0.316 O2
Calculated formula	C8.5 H7 Cu N5 Ne0.3165 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	28.6841 ± 0.0011 Å
b	9.2655 ± 0.0005 Å
c	9.3005 ± 0.0004 Å
α	90°
β	116.369 ± 0.003°
γ	90°
Cell volume	2214.63 ± 0.18 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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	0.0315
Residual factor for significantly intense reflections	0.03
Weighted residual factors for all reflections	0.0461
Weighted residual factors for significantly intense reflections	0.0455
Goodness-of-fit parameter for all reflections	4.23
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.	7119157.cif
185867	2016-08-17	cif/ Adding structures of 7119157 via cif-deposit CGI script.	7119157.cif