Crystallography Open Database

Information card for entry 4119353

4119352 << 4119353 >> 4119354

Preview

Coordinates	4119353.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C480 H525 B19 Cl Co10 F76 N65 O15
Calculated formula	C390 H330 B7 Cl Co10 F28 N60
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	20.456 ± 0.003 Å
b	27.508 ± 0.003 Å
c	40.763 ± 0.005 Å
α	88.663 ± 0.005°
β	86.592 ± 0.003°
γ	87.672 ± 0.006°
Cell volume	22873 ± 5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2153
Residual factor for significantly intense reflections	0.148
Weighted residual factors for significantly intense reflections	0.3536
Weighted residual factors for all reflections included in the refinement	0.3959
Goodness-of-fit parameter for all reflections included in the refinement	1.181
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
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.	4119353.cif
103503	2014-03-05	cif/ Adding structures of 4119353 via cif-deposit CGI script.	4119353.cif