Crystallography Open Database

Information card for entry 7043482

Preview

Coordinates	7043482.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H48 Cr F9 N12 O9 S3
Calculated formula	C51 H46.5 Cr F6 N11.5 O6 S2
Title of publication	CrIII as an alternative to RuII in metallo-supramolecular chemistry
Authors of publication	Zare, Davood; Doistau, Benjamin; Nozary, Homayoun; Besnard, Céline; Guénée, Laure; Suffren, Yan; Pelé, Anne-Laure; Hauser, Andreas; Piguet, Claude
Journal of publication	Dalton Trans.
Year of publication	2017
a	25.011 ± 0.0003 Å
b	14.00514 ± 0.00016 Å
c	33.0269 ± 0.0004 Å
α	90°
β	98.5471 ± 0.0011°
γ	90°
Cell volume	11440.3 ± 0.2 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	7
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	0.0529
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1298
Weighted residual factors for all reflections included in the refinement	0.1333
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
198191 (current)	2017-06-28	cif/ Adding structures of 7043470, 7043471, 7043472, 7043473, 7043474, 7043475, 7043476, 7043477, 7043478, 7043479, 7043480, 7043481, 7043482, 7043483, 7043484 via cif-deposit CGI script.	7043482.cif