Crystallography Open Database

Information card for entry 7043483

Preview

Coordinates	7043483.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H30 Cr F9 N10 O9 S3
Calculated formula	C44 H30 Cr F9 N10 O9 S3
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	9.6733 ± 0.0004 Å
b	15.2234 ± 0.0006 Å
c	16.499 ± 0.0005 Å
α	102.661 ± 0.003°
β	90.539 ± 0.003°
γ	94.791 ± 0.003°
Cell volume	2361.33 ± 0.16 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0845
Residual factor for significantly intense reflections	0.0776
Weighted residual factors for significantly intense reflections	0.2203
Weighted residual factors for all reflections included in the refinement	0.2315
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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.	7043483.cif