Crystallography Open Database

Information card for entry 4119354

4119353 << 4119354 >> 4119355

Preview

Coordinates	4119354.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C200.5 H210.75 F24 N30.25 Ni4 O30 S8
Calculated formula	C176.5 H150.75 F23.9998 N30.25 Ni4 O23.9998 S7.99995
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	24.581 ± 0.005 Å
b	24.581 ± 0.005 Å
c	41.33 ± 0.011 Å
α	90°
β	90°
γ	120°
Cell volume	21627 ± 8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	190
Hermann-Mauguin space group symbol	P -6 2 c
Hall space group symbol	P -6c -2c
Residual factor for all reflections	0.1009
Residual factor for significantly intense reflections	0.0989
Weighted residual factors for significantly intense reflections	0.2713
Weighted residual factors for all reflections included in the refinement	0.274
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4119354.cif
103504	2014-03-05	cif/ Adding structures of 4119354 via cif-deposit CGI script.	4119354.cif