Crystallography Open Database

Information card for entry 7036632

Preview

Coordinates	7036632.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ManganeseMOF
Formula	C25 H29 Mn2 N3 O13
Calculated formula	C25 H29 Mn2 N3 O13
Title of publication	Magnetic properties of manganese based one-dimensional spin chains.
Authors of publication	Asha, K. S.; Ranjith, K. M.; Yogi, Arvind; Nath, R.; Mandal, Sukhendu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	46
Pages of publication	19812 - 19819
a	18.2507 ± 0.0009 Å
b	18.1651 ± 0.0006 Å
c	18.8518 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	6249.9 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0895
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1225
Weighted residual factors for all reflections included in the refinement	0.1528
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
171120 (current)	2015-12-09	cif/ Updating files of 7036632, 7036633 Original log message: Adding full bibliography for 7036632--7036633.cif.	7036632.cif
158267	2015-09-24	cif/ Adding structures of 7036632, 7036633 via cif-deposit CGI script.	7036632.cif