Crystallography Open Database

Information card for entry 4329659

Preview

Coordinates	4329659.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H62 Cu4 Mn4 N8 O47
Calculated formula	C40 H16 Cu4 Mn4 N8 O47
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	10.546 ± 0.002 Å
b	37.161 ± 0.007 Å
c	19.459 ± 0.003 Å
α	90°
β	122.469 ± 0.009°
γ	90°
Cell volume	6434 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0616
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.1393
Weighted residual factors for all reflections included in the refinement	0.1431
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.738 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179399 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/96.	4329659.cif
78717	2013-04-02	cif/ Adding structures of 4329659 via cif-deposit CGI script.	4329659.cif