Crystallography Open Database

Information card for entry 7057133

Preview

Coordinates	7057133.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H38 Mn2 N11 O12
Calculated formula	C31 H38 Mn2 N11 O12
Title of publication	Octadentate flexible ligands as a platform for a variety of homo and heterometallic complexes containing diphenoxido and phenoxido/azido bridging groups: synthesis, structure and magnetic properties
Authors of publication	Pramanik, Koushik; Malpaharia, Pijush; Colacio, Enrique; Das, Babulal; Chandra, Swapan K.
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	8
Pages of publication	6332
a	10.6851 ± 0.0016 Å
b	19.094 ± 0.003 Å
c	19.263 ± 0.003 Å
α	103.316 ± 0.007°
β	101.779 ± 0.007°
γ	94.381 ± 0.007°
Cell volume	3712.3 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.3134
Residual factor for significantly intense reflections	0.0891
Weighted residual factors for significantly intense reflections	0.193
Weighted residual factors for all reflections included in the refinement	0.3224
Goodness-of-fit parameter for all reflections included in the refinement	0.974
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
230232 (current)	2019-11-17	cif/ Updating files of 7057128, 7057129, 7057130, 7057131, 7057132, 7057133, 7057134, 7057135 Original log message: Adding full bibliography for 7057128--7057135.cif.	7057133.cif
206835	2018-03-08	cif/ Adding structures of 7057128, 7057129, 7057130, 7057131, 7057132, 7057133, 7057134, 7057135 via cif-deposit CGI script.	7057133.cif