Crystallography Open Database

Information card for entry 7022207

Preview

Coordinates	7022207.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H56 I2 K2 N20 O17
Calculated formula	C50 H46 I2 K2 N20 O17
Title of publication	Cucurbit[5]uril-metal complex-induced room-temperature phosphorescence of α-naphthol and β-naphthol.
Authors of publication	Gao, Zhong-Wei; Feng, Xing; Mu, Lan; Ni, Xin-Long; Liang, Li-Li; Xue, Sai-Feng; Tao, Zhu; Zeng, Xi; Chapman, Bodgan E.; Kuchel, Philip W.; Lindoy, Leonard F.; Wei, Gang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	7
Pages of publication	2608 - 2615
a	11.997 ± 0.014 Å
b	15.364 ± 0.017 Å
c	16 ± 0.018 Å
α	90°
β	90°
γ	90°
Cell volume	2949 ± 6 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.1331
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.1325
Weighted residual factors for all reflections included in the refinement	0.155
Goodness-of-fit parameter for all reflections included in the refinement	0.932
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179927 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/22.	7022207.cif
90009	2013-11-17	cif/ Adding structures of 7022207, 7022208, 7022209, 7022210 via cif-deposit CGI script.	7022207.cif