Crystallography Open Database

Information card for entry 4106667

Preview

Coordinates	4106667.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C212 H216 B8 F32 Fe4 N44 O40
Calculated formula	C192 H155.5 Fe4 N24
Title of publication	Controlling the Transmission of Stereochemical Information through Space in Terphenyl-Edged Fe4L6 Cages
Authors of publication	Wenjing Meng; Jack K. Clegg; John D. Thoburn; Jonathan R. Nitschke
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	13652 - 13660
a	32.3941 ± 0.0019 Å
b	47.504 ± 0.003 Å
c	36.205 ± 0.002 Å
α	90°
β	104.098 ± 0.002°
γ	90°
Cell volume	54036 ± 6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1809
Residual factor for significantly intense reflections	0.1354
Weighted residual factors for significantly intense reflections	0.3483
Weighted residual factors for all reflections included in the refinement	0.3726
Goodness-of-fit parameter for all reflections included in the refinement	1.176
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178812 (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 4/10/66.	4106667.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106667.cif
53472	2012-04-20	cif/ Adding structures of 4106667 via cif-deposit CGI script.	4106667.cif