Crystallography Open Database

Information card for entry 7202270

7202269 << 7202270 >> 7202271

Preview

Coordinates	7202270.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	cole02
Formula	C78 H106 N4 O38 P4
Calculated formula	C78 H106 N4 O38 P4
Title of publication	Structure of the kanamycin‒calix[4]arene di-O-phosphonate salt
Authors of publication	Suwinska, Kinga; Coleman, Anthony W.
Journal of publication	CrystEngComm
Year of publication	2008
Journal volume	10
Journal issue	10
Pages of publication	1302
a	16.653 ± 0.001 Å
b	13.4462 ± 0.0005 Å
c	19.299 ± 0.001 Å
α	90°
β	106.527 ± 0.002°
γ	90°
Cell volume	4142.9 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.103
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.152
Weighted residual factors for all reflections included in the refinement	0.168
Goodness-of-fit parameter for all reflections included in the refinement	0.95
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
180353 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/22.	7202270.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7202270.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7202270.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7202270.cif