Crystallography Open Database

Information card for entry 4329658

Preview

Coordinates	4329658.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H188.5 Cu8 Mn12 N24 O137.5
Calculated formula	C120 H56 Cu8 Mn12 N24 O137.652
Title of publication	Solid-State Aggregation of Metallacyclophane-Based MnIICuII One-Dimensional Ladders
Authors of publication	Jesús Ferrando-Soria; Thais Grancha; Jorge Pasán; Catalina Ruiz-Pérez; Laura Cañadillas-Delgado; Yves Journaux; Miguel Julve; Joan Cano; Francesc Lloret; Emilio Pardo
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	7019 - 7021
a	14.47 ± 0.003 Å
b	18.537 ± 0.004 Å
c	37.982 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	10188 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P 21 c n
Hall space group symbol	P -2n 2a
Residual factor for all reflections	0.1094
Residual factor for significantly intense reflections	0.1083
Weighted residual factors for significantly intense reflections	0.3493
Weighted residual factors for all reflections included in the refinement	0.3521
Goodness-of-fit parameter for all reflections included in the refinement	1.725
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.738 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4329658.cif
78716	2013-04-02	cif/ Adding structures of 4329658 via cif-deposit CGI script.	4329658.cif