Crystallography Open Database

Information card for entry 7216362

Preview

Coordinates	7216362.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H56 Br4 Cd N4 O10
Calculated formula	C48 H56 Br4 Cd N4 O10
Title of publication	Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes
Authors of publication	Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	31
Pages of publication	7320
a	18.905 ± 0.0002 Å
b	17.3064 ± 0.0001 Å
c	31.5699 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	10329 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.097
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0729
Weighted residual factors for all reflections included in the refinement	0.0878
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
180494 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/63.	7216362.cif
121594	2014-08-08	cif/ Updating files of 7216357, 7216358, 7216359, 7216360, 7216361, 7216362, 7216363, 7216364, 7216365, 7216366, 7216367, 7216368, 7216369, 7216370 Original log message: Adding full bibliography for 7216357--7216370.cif.	7216362.cif
115572	2014-06-04	cif/ Adding structures of 7216357, 7216358, 7216359, 7216360, 7216361, 7216362, 7216363, 7216364, 7216365, 7216366, 7216367, 7216368, 7216369, 7216370 via cif-deposit CGI script.	7216362.cif