Crystallography Open Database

Information card for entry 1558155

Preview

Coordinates	1558155.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H129 Cl4 Mn2 N7 O12 Zn
Calculated formula	C98 H129 Cl4 Mn2 N7 O12 Zn
Title of publication	Dual switchable molecular tweezers incorporating anisotropic Mn<sup>III</sup>-salphen complexes.
Authors of publication	Doistau, Benjamin; Benda, Lorien; Cantin, Jean-Louis; Cador, Olivier; Pointillart, Fabrice; Wernsdorfer, Wolfgang; Chamoreau, Lise-Marie; Marvaud, Valérie; Hasenknopf, Bernold; Vives, Guillaume
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	26
Pages of publication	8872 - 8882
a	14.1647 ± 0.0002 Å
b	15.302 ± 0.0002 Å
c	25.9901 ± 0.0004 Å
α	88.142 ± 0.001°
β	84.223 ± 0.001°
γ	66.438 ± 0.001°
Cell volume	5137.23 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0841
Residual factor for significantly intense reflections	0.0654
Weighted residual factors for significantly intense reflections	0.185
Weighted residual factors for all reflections included in the refinement	0.2087
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.66825 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
254996 (current)	2020-08-06	cif/ Updating files of 1558155, 1558156 Original log message: Adding full bibliography for 1558155--1558156.cif.	1558155.cif
252469	2020-05-30	cif/ Adding structures of 1558155, 1558156 via cif-deposit CGI script.	1558155.cif