Crystallography Open Database

Information card for entry 4105137

Preview

Coordinates	4105137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C132 H94 B2 Cu2 F8 Fe2 N10
Calculated formula	C132 H94 B2 Cu2 F8 Fe2 N10
Title of publication	Intramolecular Electron Arrangement with a Rotative Trigger
Authors of publication	Shoko Kume; Kuniharu Nomoto; Tetsuro Kusamoto; Hiroshi Nishihara
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	14198 - 14199
a	11.403 Å
b	12.964 Å
c	18.047 Å
α	74.12°
β	89.69°
γ	86.76°
Cell volume	2561.8 Å³
Cell temperature	213 K
Ambient diffraction temperature	213 K
Number of distinct elements	7
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for all reflections included in the refinement	0.1493
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
178797 (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 4/10/51.	4105137.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4105137.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4105137.cif
30329	2011-11-11	../uploads/cif-deposit/cod/cif Adding structures of 4105137 via cif-deposit CGI script.	4105137.cif