Crystallography Open Database

Information card for entry 4119352

4119351 << 4119352 >> 4119353

Preview

Coordinates	4119352.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C472 H505 Cl20 Fe10 N75 O89
Calculated formula	C394 H336 Cl12.5 Fe10 N62 O46
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	43.1549 ± 0.0006 Å
b	43.1549 ± 0.0006 Å
c	54.1365 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	100821 ± 3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.1651
Residual factor for significantly intense reflections	0.1035
Weighted residual factors for significantly intense reflections	0.2491
Weighted residual factors for all reflections included in the refinement	0.2918
Goodness-of-fit parameter for all reflections included in the refinement	0.931
Diffraction radiation wavelength	1.5418 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.	4119352.cif
103502	2014-03-05	cif/ Adding structures of 4119352 via cif-deposit CGI script.	4119352.cif