Crystallography Open Database

Information card for entry 4119351

4119350 << 4119351 >> 4119352

Preview

Coordinates	4119351.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C232 H278 B4 F40 Fe4 N42 O26 S8
Calculated formula	C144 H108 B F4 Fe4 N24
Title of publication	Five Discrete Multinuclear Metal-Organic Assemblies from One Ligand: Deciphering the Effects of Different Templates
Authors of publication	Imogen A. Riddell; Yana R. Hristova; Jack K. Clegg; Christopher S. Wood; Boris Breiner; Jonathan R. Nitschke
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	2723 - 2733
a	26.8643 ± 0.0006 Å
b	37.9527 ± 0.0014 Å
c	22.2933 ± 0.0004 Å
α	90°
β	94.065 ± 0.002°
γ	90°
Cell volume	22672.5 ± 1.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1249
Residual factor for significantly intense reflections	0.107
Weighted residual factors for significantly intense reflections	0.306
Weighted residual factors for all reflections included in the refinement	0.3233
Goodness-of-fit parameter for all reflections included in the refinement	1.212
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178964 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/93.	4119351.cif
103501	2014-03-05	cif/ Adding structures of 4119351 via cif-deposit CGI script.	4119351.cif