Crystallography Open Database

Information card for entry 7214355

Preview

Coordinates	7214355.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C133.5 H197 N8 O37.5
Calculated formula	C133.5 H197 N8 O37.5
Title of publication	Experiences with applications of macromolecular tools in supramolecular crystallography
Authors of publication	Wierzbicki, Michał; Gilski, Mirosław; Rissanen, Kari; Jaskólski, Mariusz; Szumna, Agnieszka
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	18
Pages of publication	3773
a	15.7322 ± 0.0004 Å
b	24.0717 ± 0.0007 Å
c	41.3778 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	15669.8 ± 0.8 Å³
Cell temperature	148 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0815
Residual factor for significantly intense reflections	0.0757
Weighted residual factors for significantly intense reflections	0.1964
Weighted residual factors for all reflections included in the refinement	0.201
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7214355.cif
109294	2014-04-10	cif/ Adding structures of 7214354, 7214355 via cif-deposit CGI script.	7214355.cif