Crystallography Open Database

Information card for entry 1551364

Preview

Coordinates	1551364.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H30 Cl2 Co N6 O8
Calculated formula	C36 H30 Cl2 Co N6 O8
SMILES	c12[n](cccc1)[Co]13([n]4c(cccc4)C=[N]1c1ccccc1)([n]1c(cccc1)C=[N]3c1ccccc1)[N](=C2)c1ccccc1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
Title of publication	Anion-induced reconstitution of a self-assembling system to express a chloride-binding Co10L15 pentagonal prism
Authors of publication	Imogen A. Riddell; Maarten M. J. Smulders; Jack K. Clegg; Yana R. Hristova; Boris Breiner; John D. Thoburn; Jonathan R. Nitschke
Journal of publication	Nature Chemistry
Year of publication	2012
Journal volume	4
Pages of publication	751 - 756
a	9.757 ± 0.002 Å
b	19.778 ± 0.004 Å
c	20.491 ± 0.004 Å
α	113.73 ± 0.03°
β	95.26 ± 0.03°
γ	90.27 ± 0.03°
Cell volume	3600.9 ± 1.5 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2604
Residual factor for significantly intense reflections	0.1614
Weighted residual factors for significantly intense reflections	0.4041
Weighted residual factors for all reflections included in the refinement	0.4562
Goodness-of-fit parameter for all reflections included in the refinement	1.363
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
215882 (current)	2019-06-12	cif/ Adding structures of 1551364 via cif-deposit CGI script.	1551364.cif