Crystallography Open Database

Information card for entry 4103802

Preview

Coordinates	4103802.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H56 F9 N8 O13 S3 Tb
Calculated formula	C30 H56 F9 N8 O13 S3 Tb
Title of publication	New Macrocyclic Terbium(III) Complex for Use in RNA Footprinting Experiments
Authors of publication	Matthew J. Belousoff; Phuc Ung; Craig M. Forsyth; Yitzhak Tor; Leone Spiccia; Bim Graham
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	1106 - 1114
a	11.6554 ± 0.0004 Å
b	13.5597 ± 0.0005 Å
c	15.5642 ± 0.0005 Å
α	103.382 ± 0.002°
β	97.274 ± 0.002°
γ	95.948 ± 0.002°
Cell volume	2351.15 ± 0.14 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0224
Residual factor for significantly intense reflections	0.0205
Weighted residual factors for significantly intense reflections	0.0497
Weighted residual factors for all reflections included in the refinement	0.0506
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
178784 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/38.	4103802.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103802.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103802.cif
28277	2011-10-24	../uploads/cif-deposit/cod/cif Adding structures of 4103802 via cif-deposit CGI script.	4103802.cif