Crystallography Open Database

Information card for entry 7041066

Preview

Coordinates	7041066.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H144 Cu5 Mn10 N12 O60
Calculated formula	C100 H144 Cu5 Mn10 N12 O60
Title of publication	Rational serendipity: "undirected" synthesis of a large {MnCu} complex from pre-formed Mn(II) building blocks.
Authors of publication	Frost, Jamie M.; Kettles, Fraser J.; Wilson, Claire; Murrie, Mark
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	45
Pages of publication	18094 - 18097
a	27.5814 ± 0.0006 Å
b	27.5814 ± 0.0006 Å
c	18.4546 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	14039 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0556
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.1177
Weighted residual factors for all reflections included in the refinement	0.1279
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
190160 (current)	2017-01-09	cif/ Updating files of 7041065, 7041066 Original log message: Adding full bibliography for 7041065--7041066.cif.	7041066.cif
187679	2016-10-29	cif/ Adding structures of 7041065, 7041066 via cif-deposit CGI script.	7041066.cif